1-[chloro(diphenyl)methyl]-4-[(4-methylphenyl)methoxy]benzene

C27H23ClO — CID 134940295

IUPAC1-[chloro(diphenyl)methyl]-4-[(4-methylphenyl)methoxy]benzene
SMILESCc1ccc(COc2ccc(C(Cl)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C27H23ClO/c1-21-12-14-22(15-13-21)20-29-26-18-16-25(17-19-26)27(28,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-19H,20H2,1H3
InChIKeyUEIMOWDPBGNLBG-UHFFFAOYSA-N
MW398.93 g/mol
LogP7.10
Rot. Bonds6

About 1-[chloro(diphenyl)methyl]-4-[(4-methylphenyl)methoxy]benzene

1-[chloro(diphenyl)methyl]-4-[(4-methylphenyl)methoxy]benzene (PubChem CID 134940295) has the molecular formula C27H23ClO and a molecular weight of 398.93 g/mol. Its IUPAC name is 1-[chloro(diphenyl)methyl]-4-[(4-methylphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-[chloro(diphenyl)methyl]-4-[(4-methylphenyl)methoxy]benzene
PubChem CID134940295
Molecular FormulaC27H23ClO
Molecular Weight398.93 g/mol
Exact Mass398.14
IUPAC Name1-[chloro(diphenyl)methyl]-4-[(4-methylphenyl)methoxy]benzene
SMILESCc1ccc(COc2ccc(C(Cl)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C27H23ClO/c1-21-12-14-22(15-13-21)20-29-26-18-16-25(17-19-26)27(28,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-19H,20H2,1H3
InChIKeyUEIMOWDPBGNLBG-UHFFFAOYSA-N
XLogP7.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.93
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene
CID 22983698
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
methyl 2-hydroxy-2-phenyl-2-(4-phenylmethoxyphenyl)acetate
CID 563862
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-tert-butyl-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280079
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126117506
(1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 29186393
1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 22483118
(1S)-1-(4-methylphenyl)-N-[(4-phenylmethoxyphenyl)methyl]ethanamine
CID 113263052

Frequently Asked Questions

What is the IUPAC name of 1-[chloro(diphenyl)methyl]-4-[(4-methylphenyl)methoxy]benzene?
The IUPAC name of 1-[chloro(diphenyl)methyl]-4-[(4-methylphenyl)methoxy]benzene (CID 134940295) is 1-[chloro(diphenyl)methyl]-4-[(4-methylphenyl)methoxy]benzene.
What is the SMILES notation for 1-[chloro(diphenyl)methyl]-4-[(4-methylphenyl)methoxy]benzene?
The canonical SMILES for 1-[chloro(diphenyl)methyl]-4-[(4-methylphenyl)methoxy]benzene is Cc1ccc(COc2ccc(C(Cl)(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of 1-[chloro(diphenyl)methyl]-4-[(4-methylphenyl)methoxy]benzene?
The InChIKey is UEIMOWDPBGNLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClO/c1-21-12-14-22(15-13-21)20-29-26-18-16-25(17-19-26)27(28,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-19H,20H2,1H3.
What are the key properties of 1-[chloro(diphenyl)methyl]-4-[(4-methylphenyl)methoxy]benzene?
1-[chloro(diphenyl)methyl]-4-[(4-methylphenyl)methoxy]benzene has a molecular weight of 398.93 g/mol, XLogP of 7.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro(diphenyl)methyl]-4-[(4-methylphenyl)methoxy]benzene is sourced from PubChem (CID 134940295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).