1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol

C21H22O2 — CID 102441860

IUPAC1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol
SMILESCOc1ccc2cc(C(O)CCc3ccc(C)cc3)ccc2c1
InChIInChI=1S/C21H22O2/c1-15-3-5-16(6-4-15)7-12-21(22)19-9-8-18-14-20(23-2)11-10-17(18)13-19/h3-6,8-11,13-14,21-22H,7,12H2,1-2H3
InChIKeyBXOHIAXYJCFGSB-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.82
Rot. Bonds5

About 1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol

1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol (PubChem CID 102441860) has the molecular formula C21H22O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol
PubChem CID102441860
Molecular FormulaC21H22O2
Molecular Weight306.41 g/mol
Exact Mass306.16
IUPAC Name1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol
SMILESCOc1ccc2cc(C(O)CCc3ccc(C)cc3)ccc2c1
InChIInChI=1S/C21H22O2/c1-15-3-5-16(6-4-15)7-12-21(22)19-9-8-18-14-20(23-2)11-10-17(18)13-19/h3-6,8-11,13-14,21-22H,7,12H2,1-2H3
InChIKeyBXOHIAXYJCFGSB-UHFFFAOYSA-N
XLogP4.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-methoxynaphthalen-2-yl)-3-thiophen-3-ylpropan-1-ol
CID 65148591
1-(4-ethylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 61089071
1-(4-chloro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 115818086
1-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 105091644
1-(2,5-dimethylfuran-3-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803168
1-(4-bromo-3-fluorophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 81436909
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)propan-1-ol
CID 12648153
1-(3-iodophenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 115803162
(1S)-2-amino-1-(6-methoxynaphthalen-2-yl)ethanol
CID 28743407
2-bromo-1-(6-methoxynaphthalen-2-yl)ethanol
CID 116863268
1-(6-methoxynaphthalen-2-yl)-3-methylsulfonylpropan-1-ol
CID 65148590
1-(3-chloro-4-methylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 107562190

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol?
The IUPAC name of 1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol (CID 102441860) is 1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol.
What is the SMILES notation for 1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol?
The canonical SMILES for 1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol is COc1ccc2cc(C(O)CCc3ccc(C)cc3)ccc2c1.
What is the InChIKey of 1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol?
The InChIKey is BXOHIAXYJCFGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O2/c1-15-3-5-16(6-4-15)7-12-21(22)19-9-8-18-14-20(23-2)11-10-17(18)13-19/h3-6,8-11,13-14,21-22H,7,12H2,1-2H3.
What are the key properties of 1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol?
1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol has a molecular weight of 306.41 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxynaphthalen-2-yl)-3-(4-methylphenyl)propan-1-ol is sourced from PubChem (CID 102441860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).