2-hydroxy-1-[4-(4-methylnonoxy)phenyl]ethanone

C18H28O3 — CID 54432043

IUPAC2-hydroxy-1-[4-(4-methylnonoxy)phenyl]ethanone
SMILESCCCCCC(C)CCCOc1ccc(C(=O)CO)cc1
InChIInChI=1S/C18H28O3/c1-3-4-5-7-15(2)8-6-13-21-17-11-9-16(10-12-17)18(20)14-19/h9-12,15,19H,3-8,13-14H2,1-2H3
InChIKeyWIDJUHIHBNJBKU-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.24
Rot. Bonds11

About 2-hydroxy-1-[4-(4-methylnonoxy)phenyl]ethanone

2-hydroxy-1-[4-(4-methylnonoxy)phenyl]ethanone (PubChem CID 54432043) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-hydroxy-1-[4-(4-methylnonoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-(4-methylnonoxy)phenyl]ethanone
PubChem CID54432043
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name2-hydroxy-1-[4-(4-methylnonoxy)phenyl]ethanone
SMILESCCCCCC(C)CCCOc1ccc(C(=O)CO)cc1
InChIInChI=1S/C18H28O3/c1-3-4-5-7-15(2)8-6-13-21-17-11-9-16(10-12-17)18(20)14-19/h9-12,15,19H,3-8,13-14H2,1-2H3
InChIKeyWIDJUHIHBNJBKU-UHFFFAOYSA-N
XLogP4.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.24
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

4-[(6S)-6-methylnonoxy]benzoic acid
CID 18634887
4-[4-(4-methyldodecoxy)phenyl]phenol
CID 70404459
1-[4-(2-hydroxyethoxy)phenyl]decan-1-one
CID 43833904
dimethyl-[2-(4-octadecoxyphenyl)-2-oxoethyl]sulfanium
CID 139727751
4-[(4R)-6-chloro-4-methylhexoxy]benzoic acid
CID 18634879
4-[(4S)-4-methylhexoxy]benzoic acid;hydrochloride
CID 67933335
2-bromo-1-(4-butoxyphenyl)ethanone
CID 11288719
4-(6-methyldecoxy)phenol
CID 14495583
1,6-bis(4-dodecoxyphenyl)hexane-1,3,4,6-tetrone
CID 71405251
2-bromo-1-(4-decoxyphenyl)ethanone
CID 13435454
2-amino-1-(4-butoxyphenyl)ethanone;hydrochloride
CID 173461436
3-(4-hexoxyphenyl)-3-oxopropanoic acid
CID 170886905

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-(4-methylnonoxy)phenyl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-(4-methylnonoxy)phenyl]ethanone (CID 54432043) is 2-hydroxy-1-[4-(4-methylnonoxy)phenyl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-(4-methylnonoxy)phenyl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-(4-methylnonoxy)phenyl]ethanone is CCCCCC(C)CCCOc1ccc(C(=O)CO)cc1.
What is the InChIKey of 2-hydroxy-1-[4-(4-methylnonoxy)phenyl]ethanone?
The InChIKey is WIDJUHIHBNJBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-3-4-5-7-15(2)8-6-13-21-17-11-9-16(10-12-17)18(20)14-19/h9-12,15,19H,3-8,13-14H2,1-2H3.
What are the key properties of 2-hydroxy-1-[4-(4-methylnonoxy)phenyl]ethanone?
2-hydroxy-1-[4-(4-methylnonoxy)phenyl]ethanone has a molecular weight of 292.42 g/mol, XLogP of 4.24, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-(4-methylnonoxy)phenyl]ethanone is sourced from PubChem (CID 54432043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).