6-benzyl-1-[(2-chlorophenyl)methyl]-7-phenylmethoxynaphthalen-2-ol

C31H25ClO2 — CID 142679099

IUPAC6-benzyl-1-[(2-chlorophenyl)methyl]-7-phenylmethoxynaphthalen-2-ol
SMILESOc1ccc2cc(Cc3ccccc3)c(OCc3ccccc3)cc2c1Cc1ccccc1Cl
InChIInChI=1S/C31H25ClO2/c32-29-14-8-7-13-25(29)19-28-27-20-31(34-21-23-11-5-2-6-12-23)26(17-22-9-3-1-4-10-22)18-24(27)15-16-30(28)33/h1-16,18,20,33H,17,19,21H2
InChIKeyRJBYSKLFOHHLGL-UHFFFAOYSA-N
MW464.99 g/mol
LogP7.96
Rot. Bonds7

About 6-benzyl-1-[(2-chlorophenyl)methyl]-7-phenylmethoxynaphthalen-2-ol

6-benzyl-1-[(2-chlorophenyl)methyl]-7-phenylmethoxynaphthalen-2-ol (PubChem CID 142679099) has the molecular formula C31H25ClO2 and a molecular weight of 464.99 g/mol. Its IUPAC name is 6-benzyl-1-[(2-chlorophenyl)methyl]-7-phenylmethoxynaphthalen-2-ol.

Molecular Properties

Compound Name6-benzyl-1-[(2-chlorophenyl)methyl]-7-phenylmethoxynaphthalen-2-ol
PubChem CID142679099
Molecular FormulaC31H25ClO2
Molecular Weight464.99 g/mol
Exact Mass464.15
IUPAC Name6-benzyl-1-[(2-chlorophenyl)methyl]-7-phenylmethoxynaphthalen-2-ol
SMILESOc1ccc2cc(Cc3ccccc3)c(OCc3ccccc3)cc2c1Cc1ccccc1Cl
InChIInChI=1S/C31H25ClO2/c32-29-14-8-7-13-25(29)19-28-27-20-31(34-21-23-11-5-2-6-12-23)26(17-22-9-3-1-4-10-22)18-24(27)15-16-30(28)33/h1-16,18,20,33H,17,19,21H2
InChIKeyRJBYSKLFOHHLGL-UHFFFAOYSA-N
XLogP7.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.99
LogP ≤ 57.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[1-[(2-chlorophenyl)methyl]-6-(4-methylphenyl)-7-phenylmethoxynaphthalen-2-yl]oxyacetate
CID 142679052
4-[(2-chlorophenyl)methyl]benzene-1,2-diol
CID 44634400
7-[(2-chlorophenyl)methyl]-1,3-dimethyl-4-phenylmethoxyisoquinoline
CID 174908068
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
6,19-dimethyl-5,20-bis(phenylmethoxy)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17(22),18,20-undecaene
CID 102507798
1-benzyl-6-bromonaphthalen-2-ol
CID 132564991
2,3-dihydroxy-6-phenylmethoxybenzaldehyde
CID 174450407
2,5-bis[(2-chlorophenyl)methoxy]phenol
CID 139941911
5-phenylmethoxynaphthalen-2-ol
CID 71348952
(2,4-dichloro-5-phenylmethoxyphenyl)methanol
CID 57425039
2-(2,5-dichloro-4-phenylmethoxyphenyl)acetic acid
CID 5002950
1-(2-hydroxy-8-phenylmethoxynaphthalen-1-yl)-8-phenylmethoxynaphthalen-2-ol
CID 71528265

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-[(2-chlorophenyl)methyl]-7-phenylmethoxynaphthalen-2-ol?
The IUPAC name of 6-benzyl-1-[(2-chlorophenyl)methyl]-7-phenylmethoxynaphthalen-2-ol (CID 142679099) is 6-benzyl-1-[(2-chlorophenyl)methyl]-7-phenylmethoxynaphthalen-2-ol.
What is the SMILES notation for 6-benzyl-1-[(2-chlorophenyl)methyl]-7-phenylmethoxynaphthalen-2-ol?
The canonical SMILES for 6-benzyl-1-[(2-chlorophenyl)methyl]-7-phenylmethoxynaphthalen-2-ol is Oc1ccc2cc(Cc3ccccc3)c(OCc3ccccc3)cc2c1Cc1ccccc1Cl.
What is the InChIKey of 6-benzyl-1-[(2-chlorophenyl)methyl]-7-phenylmethoxynaphthalen-2-ol?
The InChIKey is RJBYSKLFOHHLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25ClO2/c32-29-14-8-7-13-25(29)19-28-27-20-31(34-21-23-11-5-2-6-12-23)26(17-22-9-3-1-4-10-22)18-24(27)15-16-30(28)33/h1-16,18,20,33H,17,19,21H2.
What are the key properties of 6-benzyl-1-[(2-chlorophenyl)methyl]-7-phenylmethoxynaphthalen-2-ol?
6-benzyl-1-[(2-chlorophenyl)methyl]-7-phenylmethoxynaphthalen-2-ol has a molecular weight of 464.99 g/mol, XLogP of 7.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1-[(2-chlorophenyl)methyl]-7-phenylmethoxynaphthalen-2-ol is sourced from PubChem (CID 142679099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).