(5S)-11-phenylmethoxyundecan-5-ol

C18H30O2 — CID 25187883

IUPAC(5S)-11-phenylmethoxyundecan-5-ol
SMILESCCCC[C@H](O)CCCCCCOCc1ccccc1
InChIInChI=1S/C18H30O2/c1-2-3-13-18(19)14-9-4-5-10-15-20-16-17-11-7-6-8-12-17/h6-8,11-12,18-19H,2-5,9-10,13-16H2,1H3/t18-/m0/s1
InChIKeyVWCGZGIRNCOQOJ-SFHVURJKSA-N
MW278.44 g/mol
LogP4.70
Rot. Bonds12

About (5S)-11-phenylmethoxyundecan-5-ol

(5S)-11-phenylmethoxyundecan-5-ol (PubChem CID 25187883) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is (5S)-11-phenylmethoxyundecan-5-ol.

Molecular Properties

Compound Name(5S)-11-phenylmethoxyundecan-5-ol
PubChem CID25187883
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name(5S)-11-phenylmethoxyundecan-5-ol
SMILESCCCC[C@H](O)CCCCCCOCc1ccccc1
InChIInChI=1S/C18H30O2/c1-2-3-13-18(19)14-9-4-5-10-15-20-16-17-11-7-6-8-12-17/h6-8,11-12,18-19H,2-5,9-10,13-16H2,1H3/t18-/m0/s1
InChIKeyVWCGZGIRNCOQOJ-SFHVURJKSA-N
XLogP4.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.70
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

1,13-bis(phenylmethoxy)tridecan-7-ol
CID 153372660
(2S)-15-phenylmethoxypentadecane-1,2-diol
CID 101081021
1-octadecoxy-4-phenylmethoxybutan-2-ol
CID 10906454
9-hydroxy-18-phenylmethoxyoctadecanoic acid
CID 101300567
azane;hexoxymethylbenzene
CID 174805489
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
2-hexadecoxyethoxymethylbenzene
CID 19965709
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
ethyl 2-hydroxy-6-phenylmethoxyhexanoate
CID 141379360
(3R,4S)-3-amino-1-phenylmethoxyoctadecan-4-ol
CID 101228640

Frequently Asked Questions

What is the IUPAC name of (5S)-11-phenylmethoxyundecan-5-ol?
The IUPAC name of (5S)-11-phenylmethoxyundecan-5-ol (CID 25187883) is (5S)-11-phenylmethoxyundecan-5-ol.
What is the SMILES notation for (5S)-11-phenylmethoxyundecan-5-ol?
The canonical SMILES for (5S)-11-phenylmethoxyundecan-5-ol is CCCC[C@H](O)CCCCCCOCc1ccccc1.
What is the InChIKey of (5S)-11-phenylmethoxyundecan-5-ol?
The InChIKey is VWCGZGIRNCOQOJ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H30O2/c1-2-3-13-18(19)14-9-4-5-10-15-20-16-17-11-7-6-8-12-17/h6-8,11-12,18-19H,2-5,9-10,13-16H2,1H3/t18-/m0/s1.
What are the key properties of (5S)-11-phenylmethoxyundecan-5-ol?
(5S)-11-phenylmethoxyundecan-5-ol has a molecular weight of 278.44 g/mol, XLogP of 4.70, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-11-phenylmethoxyundecan-5-ol is sourced from PubChem (CID 25187883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).