(S)-[(1S)-cyclohex-2-en-1-yl]-phenylmethanol

C13H16O — CID 7057143

IUPAC(S)-[(1S)-cyclohex-2-en-1-yl]-phenylmethanol
SMILESO[C@H](c1ccccc1)[C@@H]1C=CCCC1
InChIInChI=1S/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-5,7-9,12-14H,2,6,10H2/t12-,13-/m1/s1
InChIKeyNORFEQCIGAYCQL-CHWSQXEVSA-N
MW188.27 g/mol
LogP3.08
Rot. Bonds2

About (S)-[(1S)-cyclohex-2-en-1-yl]-phenylmethanol

(S)-[(1S)-cyclohex-2-en-1-yl]-phenylmethanol (PubChem CID 7057143) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (S)-[(1S)-cyclohex-2-en-1-yl]-phenylmethanol.

Molecular Properties

Compound Name(S)-[(1S)-cyclohex-2-en-1-yl]-phenylmethanol
PubChem CID7057143
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(S)-[(1S)-cyclohex-2-en-1-yl]-phenylmethanol
SMILESO[C@H](c1ccccc1)[C@@H]1C=CCCC1
InChIInChI=1S/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-5,7-9,12-14H,2,6,10H2/t12-,13-/m1/s1
InChIKeyNORFEQCIGAYCQL-CHWSQXEVSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(S)-[(1S)-cyclopent-2-en-1-yl]-phenylmethanol
CID 129405457
cyclohept-2-en-1-yl-(4-methylphenyl)methanol
CID 2754969
[(2Z)-cyclooct-2-en-1-yl]-(4-iodophenyl)methanol
CID 15466422
(R)-[(1S)-cyclohex-2-en-1-yl]-(furan-3-yl)methanol
CID 132573813
1-[3-[(R)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]phenyl]ethanone
CID 164671376
(R)-[(1S)-cyclohex-2-en-1-yl]-thiophen-2-ylmethanol
CID 24809226
(1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol
CID 10900215
N-[cyclohex-2-en-1-yl(phenyl)methyl]aniline
CID 177462133
(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-phenylpropan-1-ol
CID 101047388
(E,1R)-1-[(1R)-cyclohex-2-en-1-yl]-3-phenylprop-2-en-1-ol
CID 11413243
cyclobutane;1-cyclohex-2-en-1-ylbutylbenzene
CID 145163043
N-[cyclohex-2-en-1-yl(phenyl)methyl]-2-methylpropanethioamide
CID 10901776

Frequently Asked Questions

What is the IUPAC name of (S)-[(1S)-cyclohex-2-en-1-yl]-phenylmethanol?
The IUPAC name of (S)-[(1S)-cyclohex-2-en-1-yl]-phenylmethanol (CID 7057143) is (S)-[(1S)-cyclohex-2-en-1-yl]-phenylmethanol.
What is the SMILES notation for (S)-[(1S)-cyclohex-2-en-1-yl]-phenylmethanol?
The canonical SMILES for (S)-[(1S)-cyclohex-2-en-1-yl]-phenylmethanol is O[C@H](c1ccccc1)[C@@H]1C=CCCC1.
What is the InChIKey of (S)-[(1S)-cyclohex-2-en-1-yl]-phenylmethanol?
The InChIKey is NORFEQCIGAYCQL-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-5,7-9,12-14H,2,6,10H2/t12-,13-/m1/s1.
What are the key properties of (S)-[(1S)-cyclohex-2-en-1-yl]-phenylmethanol?
(S)-[(1S)-cyclohex-2-en-1-yl]-phenylmethanol has a molecular weight of 188.27 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[(1S)-cyclohex-2-en-1-yl]-phenylmethanol is sourced from PubChem (CID 7057143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).