(4S)-1-phenylmethoxynon-8-en-4-ol

C16H24O2 — CID 71377063

IUPAC(4S)-1-phenylmethoxynon-8-en-4-ol
SMILESC=CCCC[C@H](O)CCCOCc1ccccc1
InChIInChI=1S/C16H24O2/c1-2-3-5-11-16(17)12-8-13-18-14-15-9-6-4-7-10-15/h2,4,6-7,9-10,16-17H,1,3,5,8,11-14H2/t16-/m0/s1
InChIKeyZPKZBUYOOLYPRY-INIZCTEOSA-N
MW248.37 g/mol
LogP3.70
Rot. Bonds10

About (4S)-1-phenylmethoxynon-8-en-4-ol

(4S)-1-phenylmethoxynon-8-en-4-ol (PubChem CID 71377063) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (4S)-1-phenylmethoxynon-8-en-4-ol.

Molecular Properties

Compound Name(4S)-1-phenylmethoxynon-8-en-4-ol
PubChem CID71377063
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(4S)-1-phenylmethoxynon-8-en-4-ol
SMILESC=CCCC[C@H](O)CCCOCc1ccccc1
InChIInChI=1S/C16H24O2/c1-2-3-5-11-16(17)12-8-13-18-14-15-9-6-4-7-10-15/h2,4,6-7,9-10,16-17H,1,3,5,8,11-14H2/t16-/m0/s1
InChIKeyZPKZBUYOOLYPRY-INIZCTEOSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-phenylmethoxyhept-6-en-3-ol
CID 59371366
1,13-bis(phenylmethoxy)tridecan-7-ol
CID 153372660
(3R)-6-phenylmethoxyhex-1-en-3-ol
CID 23649849
1-fluoro-5-phenylmethoxypentan-2-ol
CID 14003295
(2S)-5-phenylmethoxypentane-1,2-diol
CID 11106627
(4S)-6-methyl-1-phenylmethoxyheptan-4-ol
CID 11322322
(5S)-11-phenylmethoxyundecan-5-ol
CID 25187883
1-phenyl-4-phenylmethoxybutan-1-ol
CID 101407523
(2S)-15-phenylmethoxypentadecane-1,2-diol
CID 101081021
O-(11-phenylmethoxyundec-1-en-6-yl) methylsulfanylmethanethioate
CID 102520292
9-hydroxy-18-phenylmethoxyoctadecanoic acid
CID 101300567
4-(bromomethyl)hept-6-enoxymethylbenzene
CID 131093267

Frequently Asked Questions

What is the IUPAC name of (4S)-1-phenylmethoxynon-8-en-4-ol?
The IUPAC name of (4S)-1-phenylmethoxynon-8-en-4-ol (CID 71377063) is (4S)-1-phenylmethoxynon-8-en-4-ol.
What is the SMILES notation for (4S)-1-phenylmethoxynon-8-en-4-ol?
The canonical SMILES for (4S)-1-phenylmethoxynon-8-en-4-ol is C=CCCC[C@H](O)CCCOCc1ccccc1.
What is the InChIKey of (4S)-1-phenylmethoxynon-8-en-4-ol?
The InChIKey is ZPKZBUYOOLYPRY-INIZCTEOSA-N. The full InChI is InChI=1S/C16H24O2/c1-2-3-5-11-16(17)12-8-13-18-14-15-9-6-4-7-10-15/h2,4,6-7,9-10,16-17H,1,3,5,8,11-14H2/t16-/m0/s1.
What are the key properties of (4S)-1-phenylmethoxynon-8-en-4-ol?
(4S)-1-phenylmethoxynon-8-en-4-ol has a molecular weight of 248.37 g/mol, XLogP of 3.70, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-phenylmethoxynon-8-en-4-ol is sourced from PubChem (CID 71377063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).