(4-hexyl-2-hydroxyphenyl)-phenylmethanone

C19H22O2 — CID 139676906

IUPAC(4-hexyl-2-hydroxyphenyl)-phenylmethanone
SMILESCCCCCCc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C19H22O2/c1-2-3-4-6-9-15-12-13-17(18(20)14-15)19(21)16-10-7-5-8-11-16/h5,7-8,10-14,20H,2-4,6,9H2,1H3
InChIKeyRVZVTRGJGWROOD-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.75
Rot. Bonds7

About (4-hexyl-2-hydroxyphenyl)-phenylmethanone

(4-hexyl-2-hydroxyphenyl)-phenylmethanone (PubChem CID 139676906) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (4-hexyl-2-hydroxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-hexyl-2-hydroxyphenyl)-phenylmethanone
PubChem CID139676906
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(4-hexyl-2-hydroxyphenyl)-phenylmethanone
SMILESCCCCCCc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C19H22O2/c1-2-3-4-6-9-15-12-13-17(18(20)14-15)19(21)16-10-7-5-8-11-16/h5,7-8,10-14,20H,2-4,6,9H2,1H3
InChIKeyRVZVTRGJGWROOD-UHFFFAOYSA-N
XLogP4.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-butoxybutyl)-2-hydroxyphenyl]-phenylmethanone
CID 58352220
(4-butyl-2-hydroxyphenyl)-phenylmethanone;(2-methylphenyl)carbamic acid
CID 18006890
(2,4-dihydroxyphenyl)-(4-dodecyl-2-hydroxyphenyl)methanone
CID 23069369
(2,4-dibutylphenyl)-phenylmethanone
CID 154224122
(4-heptyl-2,3,5-trihydroxyphenyl)-phenylmethanone
CID 174471855
[2-hydroxy-4-(2-methoxyethyl)phenyl]-phenylmethanone
CID 175588914
(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860
(4-butoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 67726812
4-butyl-2-hydroxybenzoic acid
CID 14895249
(4-benzyl-2-hydroxyphenyl)-phenylmethanone
CID 135369978
[2-[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-octylphenyl]-phenylmethanone
CID 151609819
[4-[4-(4-benzoyl-3-hydroxyphenoxy)butoxy]-2-hydroxyphenyl]-phenylmethanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-phenylmethoxyphenyl)-phenylmethanone
CID 162002318

Frequently Asked Questions

What is the IUPAC name of (4-hexyl-2-hydroxyphenyl)-phenylmethanone?
The IUPAC name of (4-hexyl-2-hydroxyphenyl)-phenylmethanone (CID 139676906) is (4-hexyl-2-hydroxyphenyl)-phenylmethanone.
What is the SMILES notation for (4-hexyl-2-hydroxyphenyl)-phenylmethanone?
The canonical SMILES for (4-hexyl-2-hydroxyphenyl)-phenylmethanone is CCCCCCc1ccc(C(=O)c2ccccc2)c(O)c1.
What is the InChIKey of (4-hexyl-2-hydroxyphenyl)-phenylmethanone?
The InChIKey is RVZVTRGJGWROOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-2-3-4-6-9-15-12-13-17(18(20)14-15)19(21)16-10-7-5-8-11-16/h5,7-8,10-14,20H,2-4,6,9H2,1H3.
What are the key properties of (4-hexyl-2-hydroxyphenyl)-phenylmethanone?
(4-hexyl-2-hydroxyphenyl)-phenylmethanone has a molecular weight of 282.38 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hexyl-2-hydroxyphenyl)-phenylmethanone is sourced from PubChem (CID 139676906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).