(2S)-2-cyclohexa-1,5-dien-1-yl-1-phenylpropan-1-ol

C15H18O — CID 165151813

IUPAC(2S)-2-cyclohexa-1,5-dien-1-yl-1-phenylpropan-1-ol
SMILESC[C@@H](C1=CCCC=C1)C(O)c1ccccc1
InChIInChI=1S/C15H18O/c1-12(13-8-4-2-5-9-13)15(16)14-10-6-3-7-11-14/h3-4,6-12,15-16H,2,5H2,1H3/t12-,15?/m0/s1
InChIKeyVPRPLDFHGYNVRI-SFVWDYPZSA-N
MW214.31 g/mol
LogP3.63
Rot. Bonds3

About (2S)-2-cyclohexa-1,5-dien-1-yl-1-phenylpropan-1-ol

(2S)-2-cyclohexa-1,5-dien-1-yl-1-phenylpropan-1-ol (PubChem CID 165151813) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-2-cyclohexa-1,5-dien-1-yl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-cyclohexa-1,5-dien-1-yl-1-phenylpropan-1-ol
PubChem CID165151813
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name(2S)-2-cyclohexa-1,5-dien-1-yl-1-phenylpropan-1-ol
SMILESC[C@@H](C1=CCCC=C1)C(O)c1ccccc1
InChIInChI=1S/C15H18O/c1-12(13-8-4-2-5-9-13)15(16)14-10-6-3-7-11-14/h3-4,6-12,15-16H,2,5H2,1H3/t12-,15?/m0/s1
InChIKeyVPRPLDFHGYNVRI-SFVWDYPZSA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-methylbutan-2-yl)cyclohexa-1,3-diene
CID 143730073
1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane
CID 156726896
N-(1-cyclohexa-1,5-dien-1-ylethoxy)-N,2-dimethyl-1-phenylpropan-1-amine;methane
CID 159779840
(1R)-N-benzyl-1-cyclohexa-1,5-dien-1-ylethanamine
CID 142348400
2-(4-benzhydrylpiperazin-1-yl)-1-cyclohexa-1,5-dien-1-ylethanol
CID 58465527
2-[cyclohexa-1,5-dien-1-yl(phenyl)methyl]cyclohepta-1,3,5-triene;propane
CID 142964914
3-[benzyl(methyl)amino]-1-cyclohexa-1,5-dien-1-ylpropan-1-ol
CID 143394771
N-(4-cyclohexa-1,5-dien-1-yl-4-phenylbut-1-en-2-yl)-2-methylbutan-2-amine
CID 165399029
1,2-diphenylethane-1,2-diol
CID 159073808
(2R)-2-cyclohexa-1,5-dien-1-yl-2-hydroxyacetic acid
CID 57236627
1-[[cyclohexa-1,5-dien-1-yl(phenyl)methoxy]methyl]-4-ethylbenzene
CID 142914167
(1R,2R)-1-(4-fluorophenyl)-2-phenylpropan-1-ol
CID 134955278

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyclohexa-1,5-dien-1-yl-1-phenylpropan-1-ol?
The IUPAC name of (2S)-2-cyclohexa-1,5-dien-1-yl-1-phenylpropan-1-ol (CID 165151813) is (2S)-2-cyclohexa-1,5-dien-1-yl-1-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-cyclohexa-1,5-dien-1-yl-1-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-cyclohexa-1,5-dien-1-yl-1-phenylpropan-1-ol is C[C@@H](C1=CCCC=C1)C(O)c1ccccc1.
What is the InChIKey of (2S)-2-cyclohexa-1,5-dien-1-yl-1-phenylpropan-1-ol?
The InChIKey is VPRPLDFHGYNVRI-SFVWDYPZSA-N. The full InChI is InChI=1S/C15H18O/c1-12(13-8-4-2-5-9-13)15(16)14-10-6-3-7-11-14/h3-4,6-12,15-16H,2,5H2,1H3/t12-,15?/m0/s1.
What are the key properties of (2S)-2-cyclohexa-1,5-dien-1-yl-1-phenylpropan-1-ol?
(2S)-2-cyclohexa-1,5-dien-1-yl-1-phenylpropan-1-ol has a molecular weight of 214.31 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyclohexa-1,5-dien-1-yl-1-phenylpropan-1-ol is sourced from PubChem (CID 165151813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).