(S)-phenyl-[(1S,2S)-2-prop-1-en-2-ylcyclopropyl]methanol

C13H16O — CID 100973323

IUPAC(S)-phenyl-[(1S,2S)-2-prop-1-en-2-ylcyclopropyl]methanol
SMILESC=C(C)[C@H]1C[C@@H]1[C@H](O)c1ccccc1
InChIInChI=1S/C13H16O/c1-9(2)11-8-12(11)13(14)10-6-4-3-5-7-10/h3-7,11-14H,1,8H2,2H3/t11-,12+,13-/m1/s1
InChIKeyKMIVVGYQBOOSTF-FRRDWIJNSA-N
MW188.27 g/mol
LogP2.93
Rot. Bonds3

About (S)-phenyl-[(1S,2S)-2-prop-1-en-2-ylcyclopropyl]methanol

(S)-phenyl-[(1S,2S)-2-prop-1-en-2-ylcyclopropyl]methanol (PubChem CID 100973323) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (S)-phenyl-[(1S,2S)-2-prop-1-en-2-ylcyclopropyl]methanol.

Molecular Properties

Compound Name(S)-phenyl-[(1S,2S)-2-prop-1-en-2-ylcyclopropyl]methanol
PubChem CID100973323
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(S)-phenyl-[(1S,2S)-2-prop-1-en-2-ylcyclopropyl]methanol
SMILESC=C(C)[C@H]1C[C@@H]1[C@H](O)c1ccccc1
InChIInChI=1S/C13H16O/c1-9(2)11-8-12(11)13(14)10-6-4-3-5-7-10/h3-7,11-14H,1,8H2,2H3/t11-,12+,13-/m1/s1
InChIKeyKMIVVGYQBOOSTF-FRRDWIJNSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.93
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

(R)-phenyl-[(1S,2R)-2-prop-1-en-2-ylcyclopropyl]methanol
CID 15855453
cis-(1S,2R)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 165353427
cis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 130979849
2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392534
1-(2-prop-1-en-2-ylcyclopropyl)propan-1-ol
CID 73094340
(2S)-2-[(1R,2R)-2-[(R)-hydroxy(phenyl)methyl]cyclopropyl]propan-1-ol
CID 10584418
(3,5-dimethylcyclohexyl)-phenylmethanol
CID 64730076
2-[dimethylamino(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 116908350
(3,4-dimethylcyclohexyl)-phenylmethanol
CID 64740008
[(2S,4R)-4-methylpyrrolidin-2-yl]-phenylmethanol
CID 101194740
(S)-cyclopentyl(phenyl)methanol
CID 36691435
3-methyl-2-methylidene-1-phenylbut-3-en-1-ol
CID 12507780

Frequently Asked Questions

What is the IUPAC name of (S)-phenyl-[(1S,2S)-2-prop-1-en-2-ylcyclopropyl]methanol?
The IUPAC name of (S)-phenyl-[(1S,2S)-2-prop-1-en-2-ylcyclopropyl]methanol (CID 100973323) is (S)-phenyl-[(1S,2S)-2-prop-1-en-2-ylcyclopropyl]methanol.
What is the SMILES notation for (S)-phenyl-[(1S,2S)-2-prop-1-en-2-ylcyclopropyl]methanol?
The canonical SMILES for (S)-phenyl-[(1S,2S)-2-prop-1-en-2-ylcyclopropyl]methanol is C=C(C)[C@H]1C[C@@H]1[C@H](O)c1ccccc1.
What is the InChIKey of (S)-phenyl-[(1S,2S)-2-prop-1-en-2-ylcyclopropyl]methanol?
The InChIKey is KMIVVGYQBOOSTF-FRRDWIJNSA-N. The full InChI is InChI=1S/C13H16O/c1-9(2)11-8-12(11)13(14)10-6-4-3-5-7-10/h3-7,11-14H,1,8H2,2H3/t11-,12+,13-/m1/s1.
What are the key properties of (S)-phenyl-[(1S,2S)-2-prop-1-en-2-ylcyclopropyl]methanol?
(S)-phenyl-[(1S,2S)-2-prop-1-en-2-ylcyclopropyl]methanol has a molecular weight of 188.27 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-phenyl-[(1S,2S)-2-prop-1-en-2-ylcyclopropyl]methanol is sourced from PubChem (CID 100973323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).