1-bromo-6-cyclohexyl-2-phenylmethoxynaphthalene

C23H23BrO — CID 164672868

IUPAC1-bromo-6-cyclohexyl-2-phenylmethoxynaphthalene
SMILESBrc1c(OCc2ccccc2)ccc2cc(C3CCCCC3)ccc12
InChIInChI=1S/C23H23BrO/c24-23-21-13-11-19(18-9-5-2-6-10-18)15-20(21)12-14-22(23)25-16-17-7-3-1-4-8-17/h1,3-4,7-8,11-15,18H,2,5-6,9-10,16H2
InChIKeyKUXQDHMQXUADOD-UHFFFAOYSA-N
MW395.34 g/mol
LogP7.23
Rot. Bonds4

About 1-bromo-6-cyclohexyl-2-phenylmethoxynaphthalene

1-bromo-6-cyclohexyl-2-phenylmethoxynaphthalene (PubChem CID 164672868) has the molecular formula C23H23BrO and a molecular weight of 395.34 g/mol. Its IUPAC name is 1-bromo-6-cyclohexyl-2-phenylmethoxynaphthalene.

Molecular Properties

Compound Name1-bromo-6-cyclohexyl-2-phenylmethoxynaphthalene
PubChem CID164672868
Molecular FormulaC23H23BrO
Molecular Weight395.34 g/mol
Exact Mass394.09
IUPAC Name1-bromo-6-cyclohexyl-2-phenylmethoxynaphthalene
SMILESBrc1c(OCc2ccccc2)ccc2cc(C3CCCCC3)ccc12
InChIInChI=1S/C23H23BrO/c24-23-21-13-11-19(18-9-5-2-6-10-18)15-20(21)12-14-22(23)25-16-17-7-3-1-4-8-17/h1,3-4,7-8,11-15,18H,2,5-6,9-10,16H2
InChIKeyKUXQDHMQXUADOD-UHFFFAOYSA-N
XLogP7.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.34
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Bromo-2-methoxynaphthalene
CID 72860
(S)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthyl
CID 394170
9-(4-Phenoxybutoxy)phenanthrene
CID 42631251
10-(Bromomethyl)-2,3-dimethoxy-6-phenylmethoxyphenanthrene
CID 53326802
2-Benzyloxy-1-bromonaphthalene
CID 378883
[4-(3-Bromo-2-methoxynaphthalen-1-yl)-3-methoxynaphthalen-2-yl]methanol
CID 1818744
12-(3-bromophenyl)-9,9-dimethyl-10,12-dihydro-8H-benzo[a]xanthene-11-thione
CID 71540698
12-(2-Bromophenyl)-8,9,10,12-tetrahydrobenzo[a]xanthene-11-thione
CID 71540926
2-(Allyloxy)-6-bromonaphthalene
CID 272210
1-Bromo-2-allyloxynaphthalene
CID 2268924
7-Bromo-1-(7-bromo-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
CID 10743041
1-Bromo-2-ethoxynaphthalene
CID 10966944

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-cyclohexyl-2-phenylmethoxynaphthalene?
The IUPAC name of 1-bromo-6-cyclohexyl-2-phenylmethoxynaphthalene (CID 164672868) is 1-bromo-6-cyclohexyl-2-phenylmethoxynaphthalene.
What is the SMILES notation for 1-bromo-6-cyclohexyl-2-phenylmethoxynaphthalene?
The canonical SMILES for 1-bromo-6-cyclohexyl-2-phenylmethoxynaphthalene is Brc1c(OCc2ccccc2)ccc2cc(C3CCCCC3)ccc12.
What is the InChIKey of 1-bromo-6-cyclohexyl-2-phenylmethoxynaphthalene?
The InChIKey is KUXQDHMQXUADOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrO/c24-23-21-13-11-19(18-9-5-2-6-10-18)15-20(21)12-14-22(23)25-16-17-7-3-1-4-8-17/h1,3-4,7-8,11-15,18H,2,5-6,9-10,16H2.
What are the key properties of 1-bromo-6-cyclohexyl-2-phenylmethoxynaphthalene?
1-bromo-6-cyclohexyl-2-phenylmethoxynaphthalene has a molecular weight of 395.34 g/mol, XLogP of 7.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-cyclohexyl-2-phenylmethoxynaphthalene is sourced from PubChem (CID 164672868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).