trans-(1S,4S)-3,3,4-trimethyl-4-(4-methylphenyl)cyclopentan-1-ol

C15H22O — CID 101324800

IUPACtrans-(1S,4S)-3,3,4-trimethyl-4-(4-methylphenyl)cyclopentan-1-ol
SMILESCc1ccc([C@@]2(C)C[C@@H](O)CC2(C)C)cc1
InChIInChI=1S/C15H22O/c1-11-5-7-12(8-6-11)15(4)10-13(16)9-14(15,2)3/h5-8,13,16H,9-10H2,1-4H3/t13-,15+/m0/s1
InChIKeySRSPZMSNYAVIMD-DZGCQCFKSA-N
MW218.34 g/mol
LogP3.43
Rot. Bonds1

About trans-(1S,4S)-3,3,4-trimethyl-4-(4-methylphenyl)cyclopentan-1-ol

trans-(1S,4S)-3,3,4-trimethyl-4-(4-methylphenyl)cyclopentan-1-ol (PubChem CID 101324800) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is trans-(1S,4S)-3,3,4-trimethyl-4-(4-methylphenyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,4S)-3,3,4-trimethyl-4-(4-methylphenyl)cyclopentan-1-ol
PubChem CID101324800
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Nametrans-(1S,4S)-3,3,4-trimethyl-4-(4-methylphenyl)cyclopentan-1-ol
SMILESCc1ccc([C@@]2(C)C[C@@H](O)CC2(C)C)cc1
InChIInChI=1S/C15H22O/c1-11-5-7-12(8-6-11)15(4)10-13(16)9-14(15,2)3/h5-8,13,16H,9-10H2,1-4H3/t13-,15+/m0/s1
InChIKeySRSPZMSNYAVIMD-DZGCQCFKSA-N
XLogP3.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Phenyl-2-butanol
CID 61302
1-Phenyl-2-pentanol
CID 61202
Benzeneethanol, 4-(1-methylethyl)-
CID 82349
Dimethyl phenylbutanol
CID 99870
2-Methyl-4-phenyl-1-pentanol
CID 3021997
Bisacumol
CID 5315469
p-tert-Butylphenethyl alcohol
CID 79410
2-Benzyl-2-methyl-1,3-propanediol
CID 299476
Benzenepropanol, 4-(1,1-dimethylethyl)-beta-methyl-
CID 92013
4-tert-Butylbenzyl alcohol
CID 13416
2,2-Dimethyl-3-phenylpropanol
CID 83367
beta-Methyl-4-(1-methylethyl)benzenepropanol
CID 107334

Frequently Asked Questions

What is the IUPAC name of trans-(1S,4S)-3,3,4-trimethyl-4-(4-methylphenyl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,4S)-3,3,4-trimethyl-4-(4-methylphenyl)cyclopentan-1-ol (CID 101324800) is trans-(1S,4S)-3,3,4-trimethyl-4-(4-methylphenyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,4S)-3,3,4-trimethyl-4-(4-methylphenyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,4S)-3,3,4-trimethyl-4-(4-methylphenyl)cyclopentan-1-ol is Cc1ccc([C@@]2(C)C[C@@H](O)CC2(C)C)cc1.
What is the InChIKey of trans-(1S,4S)-3,3,4-trimethyl-4-(4-methylphenyl)cyclopentan-1-ol?
The InChIKey is SRSPZMSNYAVIMD-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H22O/c1-11-5-7-12(8-6-11)15(4)10-13(16)9-14(15,2)3/h5-8,13,16H,9-10H2,1-4H3/t13-,15+/m0/s1.
What are the key properties of trans-(1S,4S)-3,3,4-trimethyl-4-(4-methylphenyl)cyclopentan-1-ol?
trans-(1S,4S)-3,3,4-trimethyl-4-(4-methylphenyl)cyclopentan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,4S)-3,3,4-trimethyl-4-(4-methylphenyl)cyclopentan-1-ol is sourced from PubChem (CID 101324800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).