(2R)-2-hydroxy-1-(4-methoxyphenyl)tetradecan-1-one

C21H34O3 — CID 102140123

IUPAC(2R)-2-hydroxy-1-(4-methoxyphenyl)tetradecan-1-one
SMILESCCCCCCCCCCCC[C@@H](O)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-20(22)21(23)18-14-16-19(24-2)17-15-18/h14-17,20,22H,3-13H2,1-2H3/t20-/m1/s1
InChIKeySRPQOLBGWMJFBD-HXUWFJFHSA-N
MW334.50 g/mol
LogP5.55
Rot. Bonds14

About (2R)-2-hydroxy-1-(4-methoxyphenyl)tetradecan-1-one

(2R)-2-hydroxy-1-(4-methoxyphenyl)tetradecan-1-one (PubChem CID 102140123) has the molecular formula C21H34O3 and a molecular weight of 334.50 g/mol. Its IUPAC name is (2R)-2-hydroxy-1-(4-methoxyphenyl)tetradecan-1-one.

Molecular Properties

Compound Name(2R)-2-hydroxy-1-(4-methoxyphenyl)tetradecan-1-one
PubChem CID102140123
Molecular FormulaC21H34O3
Molecular Weight334.50 g/mol
Exact Mass334.25
IUPAC Name(2R)-2-hydroxy-1-(4-methoxyphenyl)tetradecan-1-one
SMILESCCCCCCCCCCCC[C@@H](O)C(=O)c1ccc(OC)cc1
InChIInChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-20(22)21(23)18-14-16-19(24-2)17-15-18/h14-17,20,22H,3-13H2,1-2H3/t20-/m1/s1
InChIKeySRPQOLBGWMJFBD-HXUWFJFHSA-N
XLogP5.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.50
LogP ≤ 55.55
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

ethyl 2-(4-methoxybenzoyl)octanoate
CID 71505430
2-hydroxy-1-phenyltetradecan-1-one
CID 54171009
1-(4-methoxyphenyl)-2-prop-2-enyloctan-1-one
CID 102429180
2-heptoxy-1-(4-methoxyphenyl)propan-1-one
CID 43800113
(1S)-1-(4-methoxyphenyl)nonan-1-ol
CID 15156207
3-fluoro-1-(4-methoxyphenyl)undecan-1-one
CID 22934232
1-(4-methoxyphenyl)-2-pyrrolidin-1-ylheptan-1-one
CID 102144586
1-(4-methoxyphenyl)tetradecan-1-one
CID 4168978
1-(4-methoxyphenyl)nonan-1-one
CID 3628625
(1S)-1-(4-methoxyphenyl)hexan-1-ol
CID 102325483
2-ethyl-1-(4-methoxyphenyl)pentan-1-one
CID 122369816
1-[1-(4-methoxybenzoyl)peroxyhexadecoxycarbonyloxy]hexadecyl 4-methoxybenzenecarboperoxoate
CID 139901170

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-1-(4-methoxyphenyl)tetradecan-1-one?
The IUPAC name of (2R)-2-hydroxy-1-(4-methoxyphenyl)tetradecan-1-one (CID 102140123) is (2R)-2-hydroxy-1-(4-methoxyphenyl)tetradecan-1-one.
What is the SMILES notation for (2R)-2-hydroxy-1-(4-methoxyphenyl)tetradecan-1-one?
The canonical SMILES for (2R)-2-hydroxy-1-(4-methoxyphenyl)tetradecan-1-one is CCCCCCCCCCCC[C@@H](O)C(=O)c1ccc(OC)cc1.
What is the InChIKey of (2R)-2-hydroxy-1-(4-methoxyphenyl)tetradecan-1-one?
The InChIKey is SRPQOLBGWMJFBD-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-20(22)21(23)18-14-16-19(24-2)17-15-18/h14-17,20,22H,3-13H2,1-2H3/t20-/m1/s1.
What are the key properties of (2R)-2-hydroxy-1-(4-methoxyphenyl)tetradecan-1-one?
(2R)-2-hydroxy-1-(4-methoxyphenyl)tetradecan-1-one has a molecular weight of 334.50 g/mol, XLogP of 5.55, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-1-(4-methoxyphenyl)tetradecan-1-one is sourced from PubChem (CID 102140123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).