(2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone

C17H18O3 — CID 86122742

IUPAC(2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone
SMILESCCCc1c(OC)ccc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C17H18O3/c1-3-7-13-15(20-2)11-10-14(17(13)19)16(18)12-8-5-4-6-9-12/h4-6,8-11,19H,3,7H2,1-2H3
InChIKeySLBBGZBVFZDRAC-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.58
Rot. Bonds5

About (2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone

(2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone (PubChem CID 86122742) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone
PubChem CID86122742
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone
SMILESCCCc1c(OC)ccc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C17H18O3/c1-3-7-13-15(20-2)11-10-14(17(13)19)16(18)12-8-5-4-6-9-12/h4-6,8-11,19H,3,7H2,1-2H3
InChIKeySLBBGZBVFZDRAC-UHFFFAOYSA-N
XLogP3.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-ethyl-2-hydroxy-4-methoxyphenyl)-phenylmethanone
CID 18714090
methyl 2-hydroxy-4-methoxy-3-propylbenzoate
CID 14719500
(3-benzoyl-2-hydroxy-6-methoxyphenyl)methyl 2-methylprop-2-enoate
CID 169082393
(Z)-4-[(3-benzoyl-2-hydroxy-6-methoxyphenyl)methoxy]-4-oxobut-2-enoic acid
CID 70541463
(2-hydroxy-4-methoxy-3-prop-1-enylphenyl)-phenylmethanone
CID 67658213
3-[3-[(3-benzoyl-2-hydroxy-6-methoxyphenyl)methyl]-2-hydroxy-4-methoxyphenyl]benzaldehyde
CID 139891703
(2,4-dihydroxy-3,5-dipropylphenyl)-phenylmethanone
CID 23109143
4-[(4-benzoyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid
CID 15682702
[2-(hydroxymethyl)-3,4-dimethoxyphenyl]-phenylmethanone
CID 58297973
(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone
CID 159803973
(2,3-dihydroxy-4-octoxyphenyl)-phenylmethanone
CID 21391594
(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone
CID 175021550

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone?
The IUPAC name of (2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone (CID 86122742) is (2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone.
What is the SMILES notation for (2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone?
The canonical SMILES for (2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone is CCCc1c(OC)ccc(C(=O)c2ccccc2)c1O.
What is the InChIKey of (2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone?
The InChIKey is SLBBGZBVFZDRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-3-7-13-15(20-2)11-10-14(17(13)19)16(18)12-8-5-4-6-9-12/h4-6,8-11,19H,3,7H2,1-2H3.
What are the key properties of (2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone?
(2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone has a molecular weight of 270.33 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone is sourced from PubChem (CID 86122742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).