(1S)-1-cyclopropyl-1-(4-propan-2-ylphenyl)ethanol

C14H20O — CID 94604529

IUPAC(1S)-1-cyclopropyl-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc([C@@](C)(O)C2CC2)cc1
InChIInChI=1S/C14H20O/c1-10(2)11-4-6-12(7-5-11)14(3,15)13-8-9-13/h4-7,10,13,15H,8-9H2,1-3H3/t14-/m1/s1
InChIKeyNOJWGEOXRNSYOT-CQSZACIVSA-N
MW204.31 g/mol
LogP3.43
Rot. Bonds3

About (1S)-1-cyclopropyl-1-(4-propan-2-ylphenyl)ethanol

(1S)-1-cyclopropyl-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 94604529) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (1S)-1-cyclopropyl-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-cyclopropyl-1-(4-propan-2-ylphenyl)ethanol
PubChem CID94604529
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(1S)-1-cyclopropyl-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc([C@@](C)(O)C2CC2)cc1
InChIInChI=1S/C14H20O/c1-10(2)11-4-6-12(7-5-11)14(3,15)13-8-9-13/h4-7,10,13,15H,8-9H2,1-3H3/t14-/m1/s1
InChIKeyNOJWGEOXRNSYOT-CQSZACIVSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopropyl-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of (1S)-1-cyclopropyl-1-(4-propan-2-ylphenyl)ethanol (CID 94604529) is (1S)-1-cyclopropyl-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for (1S)-1-cyclopropyl-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for (1S)-1-cyclopropyl-1-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc([C@@](C)(O)C2CC2)cc1.
What is the InChIKey of (1S)-1-cyclopropyl-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is NOJWGEOXRNSYOT-CQSZACIVSA-N. The full InChI is InChI=1S/C14H20O/c1-10(2)11-4-6-12(7-5-11)14(3,15)13-8-9-13/h4-7,10,13,15H,8-9H2,1-3H3/t14-/m1/s1.
What are the key properties of (1S)-1-cyclopropyl-1-(4-propan-2-ylphenyl)ethanol?
(1S)-1-cyclopropyl-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 204.31 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopropyl-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 94604529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).