(Z,4R,8S)-8-phenylmethoxynon-6-en-4-ol

C16H24O2 — CID 14764351

IUPAC(Z,4R,8S)-8-phenylmethoxynon-6-en-4-ol
SMILESCCC[C@@H](O)C/C=C\[C@H](C)OCc1ccccc1
InChIInChI=1S/C16H24O2/c1-3-8-16(17)12-7-9-14(2)18-13-15-10-5-4-6-11-15/h4-7,9-11,14,16-17H,3,8,12-13H2,1-2H3/b9-7-/t14-,16+/m0/s1
InChIKeyLNSAUCXXSFOSSQ-CMWWXKBXSA-N
MW248.37 g/mol
LogP3.70
Rot. Bonds8

About (Z,4R,8S)-8-phenylmethoxynon-6-en-4-ol

(Z,4R,8S)-8-phenylmethoxynon-6-en-4-ol (PubChem CID 14764351) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (Z,4R,8S)-8-phenylmethoxynon-6-en-4-ol.

Molecular Properties

Compound Name(Z,4R,8S)-8-phenylmethoxynon-6-en-4-ol
PubChem CID14764351
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(Z,4R,8S)-8-phenylmethoxynon-6-en-4-ol
SMILESCCC[C@@H](O)C/C=C\[C@H](C)OCc1ccccc1
InChIInChI=1S/C16H24O2/c1-3-8-16(17)12-7-9-14(2)18-13-15-10-5-4-6-11-15/h4-7,9-11,14,16-17H,3,8,12-13H2,1-2H3/b9-7-/t14-,16+/m0/s1
InChIKeyLNSAUCXXSFOSSQ-CMWWXKBXSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E,4R)-4-phenylmethoxypent-2-en-1-ol
CID 121008180
(Z,1R,5S)-1-(furan-2-yl)-5-phenylmethoxyhex-3-en-1-ol
CID 14764349
tributyl-[(4S)-4-phenylmethoxypent-2-enyl]stannane
CID 71354444
(E,4S,8R)-8-phenylmethoxydodec-5-ene-1,4-diol
CID 15372294
(E)-4-phenylmethoxypent-2-enal
CID 59042461
(3S,5Z,7R)-2-methyl-7-phenylmethoxyundeca-5,10-dien-3-ol
CID 10880742
hexan-3-yloxymethylbenzene
CID 20782034
1-bromo-1-phenylmethoxypropan-2-ol
CID 67553340
methyl (Z,4R)-4-phenylmethoxypent-2-enoate
CID 10082195
(Z,1R,5R)-5-methyl-1-phenyl-6-phenylmethoxyhex-3-en-1-ol
CID 15043730
(2S)-2-phenylmethoxypropane-1,1-diol
CID 141364024
1-phenylmethoxyethanol;propane-1,2,3-triol
CID 157415371

Frequently Asked Questions

What is the IUPAC name of (Z,4R,8S)-8-phenylmethoxynon-6-en-4-ol?
The IUPAC name of (Z,4R,8S)-8-phenylmethoxynon-6-en-4-ol (CID 14764351) is (Z,4R,8S)-8-phenylmethoxynon-6-en-4-ol.
What is the SMILES notation for (Z,4R,8S)-8-phenylmethoxynon-6-en-4-ol?
The canonical SMILES for (Z,4R,8S)-8-phenylmethoxynon-6-en-4-ol is CCC[C@@H](O)C/C=C\[C@H](C)OCc1ccccc1.
What is the InChIKey of (Z,4R,8S)-8-phenylmethoxynon-6-en-4-ol?
The InChIKey is LNSAUCXXSFOSSQ-CMWWXKBXSA-N. The full InChI is InChI=1S/C16H24O2/c1-3-8-16(17)12-7-9-14(2)18-13-15-10-5-4-6-11-15/h4-7,9-11,14,16-17H,3,8,12-13H2,1-2H3/b9-7-/t14-,16+/m0/s1.
What are the key properties of (Z,4R,8S)-8-phenylmethoxynon-6-en-4-ol?
(Z,4R,8S)-8-phenylmethoxynon-6-en-4-ol has a molecular weight of 248.37 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4R,8S)-8-phenylmethoxynon-6-en-4-ol is sourced from PubChem (CID 14764351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).