7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one

C20H24O4 — CID 45276919

IUPAC7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one
SMILESCOc1cc(CCCCC(=O)CCc2ccc(O)cc2)ccc1O
InChIInChI=1S/C20H24O4/c1-24-20-14-16(9-13-19(20)23)4-2-3-5-17(21)10-6-15-7-11-18(22)12-8-15/h7-9,11-14,22-23H,2-6,10H2,1H3
InChIKeyFWPWFBYFCSNHGM-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.02
Rot. Bonds9

About 7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one

7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one (PubChem CID 45276919) has the molecular formula C20H24O4 and a molecular weight of 328.41 g/mol. Its IUPAC name is 7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one.

Molecular Properties

Compound Name7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one
PubChem CID45276919
Molecular FormulaC20H24O4
Molecular Weight328.41 g/mol
Exact Mass328.17
IUPAC Name7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one
SMILESCOc1cc(CCCCC(=O)CCc2ccc(O)cc2)ccc1O
InChIInChI=1S/C20H24O4/c1-24-20-14-16(9-13-19(20)23)4-2-3-5-17(21)10-6-15-7-11-18(22)12-8-15/h7-9,11-14,22-23H,2-6,10H2,1H3
InChIKeyFWPWFBYFCSNHGM-UHFFFAOYSA-N
XLogP4.02
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-hydroxy-3-methoxyphenyl)hexadecane-3,14-dione
CID 70011892
5-(4-hydroxy-3-methoxyphenyl)pentanamide
CID 66838422
8-(4-hydroxy-3-methoxyphenyl)octanoic acid
CID 25005890
ethane;1-(4-hydroxy-3-methoxyphenyl)pentan-3-one
CID 154645810
1-(5-bromo-2-fluorophenyl)-7-(4-hydroxy-3-methoxyphenyl)heptan-3-one
CID 135391614
CID 175936648
CID 175936648
4-[9-(3,4-dimethoxyphenyl)nonyl]phenol
CID 10736998
1-(3,4-dihydroxyphenyl)-5-(4-hydroxyphenyl)pentan-3-one
CID 56847287
magnesium bis(3-(4-hydroxy-3-methoxyphenyl)propanoate)
CID 154644614
1-(4-hydroxy-3-methoxyphenyl)-4,4-dimethylpentan-3-one
CID 71334151
6-(4-hydroxy-3-methoxyphenyl)-1-phenylhexane-2,4-dione
CID 24788998
4-bromobutyl 3-(4-hydroxy-3-methoxyphenyl)propanoate
CID 174513946

Frequently Asked Questions

What is the IUPAC name of 7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one?
The IUPAC name of 7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one (CID 45276919) is 7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one.
What is the SMILES notation for 7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one?
The canonical SMILES for 7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one is COc1cc(CCCCC(=O)CCc2ccc(O)cc2)ccc1O.
What is the InChIKey of 7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one?
The InChIKey is FWPWFBYFCSNHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O4/c1-24-20-14-16(9-13-19(20)23)4-2-3-5-17(21)10-6-15-7-11-18(22)12-8-15/h7-9,11-14,22-23H,2-6,10H2,1H3.
What are the key properties of 7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one?
7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one has a molecular weight of 328.41 g/mol, XLogP of 4.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-hydroxy-3-methoxyphenyl)-1-(4-hydroxyphenyl)heptan-3-one is sourced from PubChem (CID 45276919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).