(3-pentadecyloxiran-2-yl)-phenylmethanol

C24H40O2 — CID 57004693

IUPAC(3-pentadecyloxiran-2-yl)-phenylmethanol
SMILESCCCCCCCCCCCCCCCC1OC1C(O)c1ccccc1
InChIInChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22-24(26-22)23(25)21-18-15-14-16-19-21/h14-16,18-19,22-25H,2-13,17,20H2,1H3
InChIKeyWAAQNOXDSXBFGG-UHFFFAOYSA-N
MW360.58 g/mol
LogP6.97
Rot. Bonds16

About (3-pentadecyloxiran-2-yl)-phenylmethanol

(3-pentadecyloxiran-2-yl)-phenylmethanol (PubChem CID 57004693) has the molecular formula C24H40O2 and a molecular weight of 360.58 g/mol. Its IUPAC name is (3-pentadecyloxiran-2-yl)-phenylmethanol.

Molecular Properties

Compound Name(3-pentadecyloxiran-2-yl)-phenylmethanol
PubChem CID57004693
Molecular FormulaC24H40O2
Molecular Weight360.58 g/mol
Exact Mass360.30
IUPAC Name(3-pentadecyloxiran-2-yl)-phenylmethanol
SMILESCCCCCCCCCCCCCCCC1OC1C(O)c1ccccc1
InChIInChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22-24(26-22)23(25)21-18-15-14-16-19-21/h14-16,18-19,22-25H,2-13,17,20H2,1H3
InChIKeyWAAQNOXDSXBFGG-UHFFFAOYSA-N
XLogP6.97
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.58
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-phenyloctan-1-ol
CID 12794259
(R)-phenyl-[(2S,3R)-3-(2-phenylmethoxyethyl)oxiran-2-yl]methanol
CID 102281687
2-octyl-3-propan-2-yloxirane
CID 123177081
benzyl (2S,3R)-2-[(2S,3R)-3-butyloxiran-2-yl]-3-hydroxy-3-phenylpropanoate
CID 146168772
(2S,3R)-2-butyl-3-[(1R)-1-phenylsulfanylethyl]oxirane
CID 11031888
1,1-diphenyltetradecan-3-ol
CID 102298194
icosan-10-ylbenzene
CID 54351357
hentriacontan-13-ylbenzene
CID 91306613
(E,1R)-1-[(2R,3S)-3-pentyloxiran-2-yl]but-2-en-1-ol
CID 10679063
dihydroxy(oxo)phosphanium;1-phenylundecan-1-ol
CID 69241764
1-chlorooctan-2-ylbenzene
CID 66033446
(1R,5S)-1-phenyldecane-1,5-diol
CID 10879541

Frequently Asked Questions

What is the IUPAC name of (3-pentadecyloxiran-2-yl)-phenylmethanol?
The IUPAC name of (3-pentadecyloxiran-2-yl)-phenylmethanol (CID 57004693) is (3-pentadecyloxiran-2-yl)-phenylmethanol.
What is the SMILES notation for (3-pentadecyloxiran-2-yl)-phenylmethanol?
The canonical SMILES for (3-pentadecyloxiran-2-yl)-phenylmethanol is CCCCCCCCCCCCCCCC1OC1C(O)c1ccccc1.
What is the InChIKey of (3-pentadecyloxiran-2-yl)-phenylmethanol?
The InChIKey is WAAQNOXDSXBFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-22-24(26-22)23(25)21-18-15-14-16-19-21/h14-16,18-19,22-25H,2-13,17,20H2,1H3.
What are the key properties of (3-pentadecyloxiran-2-yl)-phenylmethanol?
(3-pentadecyloxiran-2-yl)-phenylmethanol has a molecular weight of 360.58 g/mol, XLogP of 6.97, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pentadecyloxiran-2-yl)-phenylmethanol is sourced from PubChem (CID 57004693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).