1-[4-(hydroxymethyl)phenyl]-2-(4-methoxynaphthalen-1-yl)ethanone

C20H18O3 — CID 118940116

IUPAC1-[4-(hydroxymethyl)phenyl]-2-(4-methoxynaphthalen-1-yl)ethanone
SMILESCOc1ccc(CC(=O)c2ccc(CO)cc2)c2ccccc12
InChIInChI=1S/C20H18O3/c1-23-20-11-10-16(17-4-2-3-5-18(17)20)12-19(22)15-8-6-14(13-21)7-9-15/h2-11,21H,12-13H2,1H3
InChIKeyVERVGNACWIZVGN-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.77
Rot. Bonds5

About 1-[4-(hydroxymethyl)phenyl]-2-(4-methoxynaphthalen-1-yl)ethanone

1-[4-(hydroxymethyl)phenyl]-2-(4-methoxynaphthalen-1-yl)ethanone (PubChem CID 118940116) has the molecular formula C20H18O3 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)phenyl]-2-(4-methoxynaphthalen-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)phenyl]-2-(4-methoxynaphthalen-1-yl)ethanone
PubChem CID118940116
Molecular FormulaC20H18O3
Molecular Weight306.36 g/mol
Exact Mass306.13
IUPAC Name1-[4-(hydroxymethyl)phenyl]-2-(4-methoxynaphthalen-1-yl)ethanone
SMILESCOc1ccc(CC(=O)c2ccc(CO)cc2)c2ccccc12
InChIInChI=1S/C20H18O3/c1-23-20-11-10-16(17-4-2-3-5-18(17)20)12-19(22)15-8-6-14(13-21)7-9-15/h2-11,21H,12-13H2,1H3
InChIKeyVERVGNACWIZVGN-UHFFFAOYSA-N
XLogP3.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-(2,3,4-trimethoxyphenyl)ethanone
CID 10108046
1-(4-methoxynaphthalen-1-yl)propan-2-one
CID 70461266
1-(3,4-dimethoxyphenyl)-3-[4-(hydroxymethyl)-3-methoxyphenyl]propane-1,3-dione
CID 70880614
1-[4-(2-aminoethyl)phenyl]-2-(2-methoxyphenyl)ethanone
CID 116577781
1-methoxy-4-(methoxymethyl)naphthalene
CID 12777030
1-(4-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 43160435
N-[2-[(4-methoxynaphthalen-1-yl)methylamino]ethyl]acetamide
CID 78974984
1-(3-bromo-4-methoxyphenyl)-2-phenylethanone
CID 43339868
3-[(4-methoxynaphthalen-1-yl)methylamino]-N-methylpropanamide
CID 78998463
2-(2,4-dimethoxyphenyl)-1-phenylethanone
CID 10467591
1-(4-methoxynaphthalen-1-yl)-2-methylsulfanylethanone
CID 147751459
2-phenyl-1-(2,3,4-trimethoxyphenyl)ethanone
CID 14284964

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)phenyl]-2-(4-methoxynaphthalen-1-yl)ethanone?
The IUPAC name of 1-[4-(hydroxymethyl)phenyl]-2-(4-methoxynaphthalen-1-yl)ethanone (CID 118940116) is 1-[4-(hydroxymethyl)phenyl]-2-(4-methoxynaphthalen-1-yl)ethanone.
What is the SMILES notation for 1-[4-(hydroxymethyl)phenyl]-2-(4-methoxynaphthalen-1-yl)ethanone?
The canonical SMILES for 1-[4-(hydroxymethyl)phenyl]-2-(4-methoxynaphthalen-1-yl)ethanone is COc1ccc(CC(=O)c2ccc(CO)cc2)c2ccccc12.
What is the InChIKey of 1-[4-(hydroxymethyl)phenyl]-2-(4-methoxynaphthalen-1-yl)ethanone?
The InChIKey is VERVGNACWIZVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O3/c1-23-20-11-10-16(17-4-2-3-5-18(17)20)12-19(22)15-8-6-14(13-21)7-9-15/h2-11,21H,12-13H2,1H3.
What are the key properties of 1-[4-(hydroxymethyl)phenyl]-2-(4-methoxynaphthalen-1-yl)ethanone?
1-[4-(hydroxymethyl)phenyl]-2-(4-methoxynaphthalen-1-yl)ethanone has a molecular weight of 306.36 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)phenyl]-2-(4-methoxynaphthalen-1-yl)ethanone is sourced from PubChem (CID 118940116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).