(3S)-3,5-bis(phenylmethoxy)pentan-1-ol

C19H24O3 — CID 15168221

IUPAC(3S)-3,5-bis(phenylmethoxy)pentan-1-ol
SMILESOCC[C@@H](CCOCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H24O3/c20-13-11-19(22-16-18-9-5-2-6-10-18)12-14-21-15-17-7-3-1-4-8-17/h1-10,19-20H,11-16H2/t19-/m0/s1
InChIKeyTYBIGXLKWPMYHZ-IBGZPJMESA-N
MW300.40 g/mol
LogP3.56
Rot. Bonds10

About (3S)-3,5-bis(phenylmethoxy)pentan-1-ol

(3S)-3,5-bis(phenylmethoxy)pentan-1-ol (PubChem CID 15168221) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is (3S)-3,5-bis(phenylmethoxy)pentan-1-ol.

Molecular Properties

Compound Name(3S)-3,5-bis(phenylmethoxy)pentan-1-ol
PubChem CID15168221
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name(3S)-3,5-bis(phenylmethoxy)pentan-1-ol
SMILESOCC[C@@H](CCOCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C19H24O3/c20-13-11-19(22-16-18-9-5-2-6-10-18)12-14-21-15-17-7-3-1-4-8-17/h1-10,19-20H,11-16H2/t19-/m0/s1
InChIKeyTYBIGXLKWPMYHZ-IBGZPJMESA-N
XLogP3.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.56
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

(3R)-3,7-bis(phenylmethoxy)heptan-1-ol
CID 135025227
(7S)-7,10-bis(phenylmethoxy)decan-1-ol
CID 25269371
(3R)-3-phenylmethoxypentan-1-ol
CID 130841649
(3R)-5-phenylmethoxypentane-1,3-diol
CID 73332901
(3R)-3-phenylmethoxyhept-6-en-1-ol
CID 70676356
5-(2-phenylmethoxyethoxy)pentane-1,3-diol
CID 66870835
1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
4-phenylmethoxynonadecan-1-ol
CID 15735676
(2R)-2-fluoro-4-phenylmethoxybutan-1-ol
CID 129405204
1,4-bis(phenylmethoxy)butan-2-yloxymethanediol
CID 166952138
(2R)-2-anilinooxy-4-phenylmethoxybutan-1-ol
CID 24754584
O-[(2S)-1,4-bis(phenylmethoxy)butan-2-yl]hydroxylamine
CID 14814233

Frequently Asked Questions

What is the IUPAC name of (3S)-3,5-bis(phenylmethoxy)pentan-1-ol?
The IUPAC name of (3S)-3,5-bis(phenylmethoxy)pentan-1-ol (CID 15168221) is (3S)-3,5-bis(phenylmethoxy)pentan-1-ol.
What is the SMILES notation for (3S)-3,5-bis(phenylmethoxy)pentan-1-ol?
The canonical SMILES for (3S)-3,5-bis(phenylmethoxy)pentan-1-ol is OCC[C@@H](CCOCc1ccccc1)OCc1ccccc1.
What is the InChIKey of (3S)-3,5-bis(phenylmethoxy)pentan-1-ol?
The InChIKey is TYBIGXLKWPMYHZ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24O3/c20-13-11-19(22-16-18-9-5-2-6-10-18)12-14-21-15-17-7-3-1-4-8-17/h1-10,19-20H,11-16H2/t19-/m0/s1.
What are the key properties of (3S)-3,5-bis(phenylmethoxy)pentan-1-ol?
(3S)-3,5-bis(phenylmethoxy)pentan-1-ol has a molecular weight of 300.40 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,5-bis(phenylmethoxy)pentan-1-ol is sourced from PubChem (CID 15168221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).