1-(4-hexoxy-2-hydroxyphenyl)-2-phenylethanone

C20H24O3 — CID 4534112

IUPAC1-(4-hexoxy-2-hydroxyphenyl)-2-phenylethanone
SMILESCCCCCCOc1ccc(C(=O)Cc2ccccc2)c(O)c1
InChIInChI=1S/C20H24O3/c1-2-3-4-8-13-23-17-11-12-18(20(22)15-17)19(21)14-16-9-6-5-7-10-16/h5-7,9-12,15,22H,2-4,8,13-14H2,1H3
InChIKeyCXVNGMFRGZFZTG-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.78
Rot. Bonds9

About 1-(4-hexoxy-2-hydroxyphenyl)-2-phenylethanone

1-(4-hexoxy-2-hydroxyphenyl)-2-phenylethanone (PubChem CID 4534112) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(4-hexoxy-2-hydroxyphenyl)-2-phenylethanone.

Molecular Properties

Compound Name1-(4-hexoxy-2-hydroxyphenyl)-2-phenylethanone
PubChem CID4534112
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name1-(4-hexoxy-2-hydroxyphenyl)-2-phenylethanone
SMILESCCCCCCOc1ccc(C(=O)Cc2ccccc2)c(O)c1
InChIInChI=1S/C20H24O3/c1-2-3-4-8-13-23-17-11-12-18(20(22)15-17)19(21)14-16-9-6-5-7-10-16/h5-7,9-12,15,22H,2-4,8,13-14H2,1H3
InChIKeyCXVNGMFRGZFZTG-UHFFFAOYSA-N
XLogP4.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-hydroxy-4-(3-phenoxypropoxy)phenyl]-2-phenylethanone
CID 54179065
2-[(E)-C-benzyl-N-hydroxycarbonimidoyl]-5-hexoxyphenol
CID 135699007
2-[(Z)-C-benzyl-N-hydroxycarbonimidoyl]-5-decoxyphenol
CID 135717091
(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860
(4-butoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 67726812
[4-[4-(4-benzoyl-3-hydroxyphenoxy)butoxy]-2-hydroxyphenyl]-phenylmethanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-phenylmethoxyphenyl)-phenylmethanone
CID 162002318
(4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone
CID 19832534
2-benzyl-5-octoxyphenol
CID 143162484
dichloromethane;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 174965909
1-[2-hydroxy-4-[(4-methoxyphenyl)methoxy]phenyl]-2-phenylethanone
CID 91871428
bis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone
CID 162233219
[2,4-di(undecoxy)phenyl]-(2-hydroxy-4-undecoxyphenyl)methanone
CID 20743749

Frequently Asked Questions

What is the IUPAC name of 1-(4-hexoxy-2-hydroxyphenyl)-2-phenylethanone?
The IUPAC name of 1-(4-hexoxy-2-hydroxyphenyl)-2-phenylethanone (CID 4534112) is 1-(4-hexoxy-2-hydroxyphenyl)-2-phenylethanone.
What is the SMILES notation for 1-(4-hexoxy-2-hydroxyphenyl)-2-phenylethanone?
The canonical SMILES for 1-(4-hexoxy-2-hydroxyphenyl)-2-phenylethanone is CCCCCCOc1ccc(C(=O)Cc2ccccc2)c(O)c1.
What is the InChIKey of 1-(4-hexoxy-2-hydroxyphenyl)-2-phenylethanone?
The InChIKey is CXVNGMFRGZFZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-2-3-4-8-13-23-17-11-12-18(20(22)15-17)19(21)14-16-9-6-5-7-10-16/h5-7,9-12,15,22H,2-4,8,13-14H2,1H3.
What are the key properties of 1-(4-hexoxy-2-hydroxyphenyl)-2-phenylethanone?
1-(4-hexoxy-2-hydroxyphenyl)-2-phenylethanone has a molecular weight of 312.41 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexoxy-2-hydroxyphenyl)-2-phenylethanone is sourced from PubChem (CID 4534112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).