1-bromo-2-(chloromethyl)-4-methoxybenzene;1-bromo-4-methoxy-2-(trityloxymethyl)benzene;triphenylmethanol

C54H47Br2ClO4 — CID 158185351

IUPAC1-bromo-2-(chloromethyl)-4-methoxybenzene;1-bromo-4-methoxy-2-(trityloxymethyl)benzene;triphenylmethanol
SMILESCOc1ccc(Br)c(CCl)c1.COc1ccc(Br)c(COC(c2ccccc2)(c2ccccc2)c2ccccc2)c1.OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H23BrO2.C19H16O.C8H8BrClO/c1-29-25-17-18-26(28)21(19-25)20-30-27(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11-7-2-3-8(9)6(4-7)5-10/h2-19H,20H2,1H3;1-15,20H;2-4H,5H2,1H3
InChIKeyFZBQAOAXKUEQGC-UHFFFAOYSA-N
MW955.23 g/mol
LogP14.13
Rot. Bonds12

About 1-bromo-2-(chloromethyl)-4-methoxybenzene;1-bromo-4-methoxy-2-(trityloxymethyl)benzene;triphenylmethanol

1-bromo-2-(chloromethyl)-4-methoxybenzene;1-bromo-4-methoxy-2-(trityloxymethyl)benzene;triphenylmethanol (PubChem CID 158185351) has the molecular formula C54H47Br2ClO4 and a molecular weight of 955.23 g/mol. Its IUPAC name is 1-bromo-2-(chloromethyl)-4-methoxybenzene;1-bromo-4-methoxy-2-(trityloxymethyl)benzene;triphenylmethanol.

Molecular Properties

Compound Name1-bromo-2-(chloromethyl)-4-methoxybenzene;1-bromo-4-methoxy-2-(trityloxymethyl)benzene;triphenylmethanol
PubChem CID158185351
Molecular FormulaC54H47Br2ClO4
Molecular Weight955.23 g/mol
Exact Mass952.15
IUPAC Name1-bromo-2-(chloromethyl)-4-methoxybenzene;1-bromo-4-methoxy-2-(trityloxymethyl)benzene;triphenylmethanol
SMILESCOc1ccc(Br)c(CCl)c1.COc1ccc(Br)c(COC(c2ccccc2)(c2ccccc2)c2ccccc2)c1.OC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H23BrO2.C19H16O.C8H8BrClO/c1-29-25-17-18-26(28)21(19-25)20-30-27(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11-7-2-3-8(9)6(4-7)5-10/h2-19H,20H2,1H3;1-15,20H;2-4H,5H2,1H3
InChIKeyFZBQAOAXKUEQGC-UHFFFAOYSA-N
XLogP14.13
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500955.23
LogP ≤ 514.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-bromo-2-(chloromethyl)-4-methoxybenzene;1-bromo-4-methoxy-2-(trityloxymethyl)benzene;triphenylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-Bromo-5-methoxyphenyl)-diphenylmethanol
CID 138975329
(((2-Bromo-5-methoxybenzyl)oxy)methanetriyl)tribenzene
CID 11282571
9-(4-Bromophenoxy)-4-[2-[4-(4-bromophenoxy)phenyl]phenoxy]-7,9-dichlorodec-2-ene-1,6-diol
CID 70581600
4-(4-Bromophenoxy)-2,4-dichloropentan-1-ol;4-[2-[4-(4-bromophenoxy)phenyl]phenoxy]pent-2-en-1-ol
CID 70581601
3-[[[4-[3-[[4-Bromo-3-(bromomethyl)phenoxy]methyl]pent-3-enoxy]phenyl]-(4-methoxyphenyl)-phenylmethoxy]methyl]phenol
CID 123621610
1-Bromo-4-(4-fluorophenoxy)-2-(methoxymethoxymethyl)benzene;[2-bromo-5-(4-fluorophenoxy)phenyl]methanol;chloromethoxyethane;methane;molecular hydrogen
CID 157061431
[2-Bromo-5-(2-phenylethoxy)phenyl]methanol;[2-(methoxymethyl)-4-(2-phenylethoxy)phenyl]boronic acid
CID 157150695
4-Bromo-3-(hydroxymethyl)phenol;1-bromo-4-(2-methoxyethoxy)-2-(methoxymethyl)benzene;[2-bromo-5-(2-methoxyethoxy)phenyl]methanol;3-(hydroxymethyl)phenol
CID 157423664
1-Bromo-2-(ethoxymethoxymethyl)-4-(4-fluorophenoxy)benzene;[2-bromo-5-(4-fluorophenoxy)phenyl]methanol;chloromethoxyethane;methane;molecular hydrogen
CID 158233740
CID 158646893
CID 158646893
1-Bromo-4-(4-chlorophenoxy)-2-(ethoxymethoxymethyl)benzene;[2-bromo-5-(4-chlorophenoxy)phenyl]methanol;chloromethoxyethane;molecular hydrogen
CID 158822345
1-Bromo-2-methoxy-4-propan-2-ylbenzene;1-bromo-4-methoxy-2-propan-2-ylbenzene;2-bromo-5-propan-2-ylphenol;4-bromo-3-propan-2-ylphenol
CID 159222718

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(chloromethyl)-4-methoxybenzene;1-bromo-4-methoxy-2-(trityloxymethyl)benzene;triphenylmethanol?
The IUPAC name of 1-bromo-2-(chloromethyl)-4-methoxybenzene;1-bromo-4-methoxy-2-(trityloxymethyl)benzene;triphenylmethanol (CID 158185351) is 1-bromo-2-(chloromethyl)-4-methoxybenzene;1-bromo-4-methoxy-2-(trityloxymethyl)benzene;triphenylmethanol.
What is the SMILES notation for 1-bromo-2-(chloromethyl)-4-methoxybenzene;1-bromo-4-methoxy-2-(trityloxymethyl)benzene;triphenylmethanol?
The canonical SMILES for 1-bromo-2-(chloromethyl)-4-methoxybenzene;1-bromo-4-methoxy-2-(trityloxymethyl)benzene;triphenylmethanol is COc1ccc(Br)c(CCl)c1.COc1ccc(Br)c(COC(c2ccccc2)(c2ccccc2)c2ccccc2)c1.OC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-bromo-2-(chloromethyl)-4-methoxybenzene;1-bromo-4-methoxy-2-(trityloxymethyl)benzene;triphenylmethanol?
The InChIKey is FZBQAOAXKUEQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23BrO2.C19H16O.C8H8BrClO/c1-29-25-17-18-26(28)21(19-25)20-30-27(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-11-7-2-3-8(9)6(4-7)5-10/h2-19H,20H2,1H3;1-15,20H;2-4H,5H2,1H3.
What are the key properties of 1-bromo-2-(chloromethyl)-4-methoxybenzene;1-bromo-4-methoxy-2-(trityloxymethyl)benzene;triphenylmethanol?
1-bromo-2-(chloromethyl)-4-methoxybenzene;1-bromo-4-methoxy-2-(trityloxymethyl)benzene;triphenylmethanol has a molecular weight of 955.23 g/mol, XLogP of 14.13, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(chloromethyl)-4-methoxybenzene;1-bromo-4-methoxy-2-(trityloxymethyl)benzene;triphenylmethanol is sourced from PubChem (CID 158185351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).