[4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]phenyl]methanol

C15H20O — CID 70694952

IUPAC[4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]phenyl]methanol
SMILESCC1=C(C)[C@@](C)(c2ccc(CO)cc2)CC1
InChIInChI=1S/C15H20O/c1-11-8-9-15(3,12(11)2)14-6-4-13(10-16)5-7-14/h4-7,16H,8-10H2,1-3H3/t15-/m0/s1
InChIKeyASPJHNACYAXEJK-HNNXBMFYSA-N
MW216.32 g/mol
LogP3.57
Rot. Bonds2

About [4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]phenyl]methanol

[4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]phenyl]methanol (PubChem CID 70694952) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is [4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]phenyl]methanol
PubChem CID70694952
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name[4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]phenyl]methanol
SMILESCC1=C(C)[C@@](C)(c2ccc(CO)cc2)CC1
InChIInChI=1S/C15H20O/c1-11-8-9-15(3,12(11)2)14-6-4-13(10-16)5-7-14/h4-7,16H,8-10H2,1-3H3/t15-/m0/s1
InChIKeyASPJHNACYAXEJK-HNNXBMFYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 53.57
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 [4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]phenyl]methanol?
The IUPAC name of [4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]phenyl]methanol (CID 70694952) is [4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]phenyl]methanol.
What is the SMILES notation for [4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]phenyl]methanol?
The canonical SMILES for [4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]phenyl]methanol is CC1=C(C)[C@@](C)(c2ccc(CO)cc2)CC1.
What is the InChIKey of [4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]phenyl]methanol?
The InChIKey is ASPJHNACYAXEJK-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20O/c1-11-8-9-15(3,12(11)2)14-6-4-13(10-16)5-7-14/h4-7,16H,8-10H2,1-3H3/t15-/m0/s1.
What are the key properties of [4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]phenyl]methanol?
[4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]phenyl]methanol has a molecular weight of 216.32 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R)-1,2,3-trimethylcyclopent-2-en-1-yl]phenyl]methanol is sourced from PubChem (CID 70694952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).