(1S)-1-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopropyl]-3-phenylpropan-1-ol

C15H20O — CID 132521156

IUPAC(1S)-1-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopropyl]-3-phenylpropan-1-ol
SMILESC=C1[C@H](C)[C@@]1(C)[C@@H](O)CCc1ccccc1
InChIInChI=1S/C15H20O/c1-11-12(2)15(11,3)14(16)10-9-13-7-5-4-6-8-13/h4-8,12,14,16H,1,9-10H2,2-3H3/t12-,14-,15-/m0/s1
InChIKeyCKADZSKZJQULNO-QEJZJMRPSA-N
MW216.32 g/mol
LogP3.19
Rot. Bonds4

About (1S)-1-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopropyl]-3-phenylpropan-1-ol

(1S)-1-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopropyl]-3-phenylpropan-1-ol (PubChem CID 132521156) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is (1S)-1-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopropyl]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopropyl]-3-phenylpropan-1-ol
PubChem CID132521156
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name(1S)-1-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopropyl]-3-phenylpropan-1-ol
SMILESC=C1[C@H](C)[C@@]1(C)[C@@H](O)CCc1ccccc1
InChIInChI=1S/C15H20O/c1-11-12(2)15(11,3)14(16)10-9-13-7-5-4-6-8-13/h4-8,12,14,16H,1,9-10H2,2-3H3/t12-,14-,15-/m0/s1
InChIKeyCKADZSKZJQULNO-QEJZJMRPSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopropyl]-3-phenylpropan-1-ol?
The IUPAC name of (1S)-1-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopropyl]-3-phenylpropan-1-ol (CID 132521156) is (1S)-1-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopropyl]-3-phenylpropan-1-ol.
What is the SMILES notation for (1S)-1-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopropyl]-3-phenylpropan-1-ol?
The canonical SMILES for (1S)-1-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopropyl]-3-phenylpropan-1-ol is C=C1[C@H](C)[C@@]1(C)[C@@H](O)CCc1ccccc1.
What is the InChIKey of (1S)-1-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopropyl]-3-phenylpropan-1-ol?
The InChIKey is CKADZSKZJQULNO-QEJZJMRPSA-N. The full InChI is InChI=1S/C15H20O/c1-11-12(2)15(11,3)14(16)10-9-13-7-5-4-6-8-13/h4-8,12,14,16H,1,9-10H2,2-3H3/t12-,14-,15-/m0/s1.
What are the key properties of (1S)-1-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopropyl]-3-phenylpropan-1-ol?
(1S)-1-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopropyl]-3-phenylpropan-1-ol has a molecular weight of 216.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1R,2S)-1,2-dimethyl-3-methylidenecyclopropyl]-3-phenylpropan-1-ol is sourced from PubChem (CID 132521156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).