cis-(1S,3S)-2,2,3-trimethyl-3-(4-methylphenyl)cyclopentan-1-ol

C15H22O — CID 5318539

IUPACcis-(1S,3S)-2,2,3-trimethyl-3-(4-methylphenyl)cyclopentan-1-ol
SMILESCc1ccc([C@]2(C)CC[C@H](O)C2(C)C)cc1
InChIInChI=1S/C15H22O/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(15,2)3/h5-8,13,16H,9-10H2,1-4H3/t13-,15-/m0/s1
InChIKeyAFRLMSOCDMQZOR-ZFWWWQNUSA-N
MW218.34 g/mol
LogP3.43
Rot. Bonds1

About cis-(1S,3S)-2,2,3-trimethyl-3-(4-methylphenyl)cyclopentan-1-ol

cis-(1S,3S)-2,2,3-trimethyl-3-(4-methylphenyl)cyclopentan-1-ol (PubChem CID 5318539) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is cis-(1S,3S)-2,2,3-trimethyl-3-(4-methylphenyl)cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1S,3S)-2,2,3-trimethyl-3-(4-methylphenyl)cyclopentan-1-ol
PubChem CID5318539
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Namecis-(1S,3S)-2,2,3-trimethyl-3-(4-methylphenyl)cyclopentan-1-ol
SMILESCc1ccc([C@]2(C)CC[C@H](O)C2(C)C)cc1
InChIInChI=1S/C15H22O/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(15,2)3/h5-8,13,16H,9-10H2,1-4H3/t13-,15-/m0/s1
InChIKeyAFRLMSOCDMQZOR-ZFWWWQNUSA-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

Dimethyl phenylbutanol
CID 99870
2-Methyl-4-phenyl-1-pentanol
CID 3021997
Bisacumol
CID 5315469
3-Deoxyestradiol
CID 228944
p-tert-Butylphenethyl alcohol
CID 79410
Benzenepropanol, 4-(1,1-dimethylethyl)-beta-methyl-
CID 92013
2,2-Dimethyl-3-phenylpropanol
CID 83367
beta-Methyl-4-(1-methylethyl)benzenepropanol
CID 107334
(2,5-Dimethyl-2,3-dihydro-1H-inden-2-yl)methanol
CID 11367306
trans-(1R,3R)-3-[4-(2-methylnonan-2-yl)phenyl]cyclohexan-1-ol
CID 44452506
cis-(1R,3S)-3-[4-(2-methylheptan-2-yl)phenyl]cyclohexan-1-ol
CID 44452649
(1R*,3S*)-3-[4-(1,1-dimethylheptyl)phenyl]cyclohexanol
CID 44452650

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-2,2,3-trimethyl-3-(4-methylphenyl)cyclopentan-1-ol?
The IUPAC name of cis-(1S,3S)-2,2,3-trimethyl-3-(4-methylphenyl)cyclopentan-1-ol (CID 5318539) is cis-(1S,3S)-2,2,3-trimethyl-3-(4-methylphenyl)cyclopentan-1-ol.
What is the SMILES notation for cis-(1S,3S)-2,2,3-trimethyl-3-(4-methylphenyl)cyclopentan-1-ol?
The canonical SMILES for cis-(1S,3S)-2,2,3-trimethyl-3-(4-methylphenyl)cyclopentan-1-ol is Cc1ccc([C@]2(C)CC[C@H](O)C2(C)C)cc1.
What is the InChIKey of cis-(1S,3S)-2,2,3-trimethyl-3-(4-methylphenyl)cyclopentan-1-ol?
The InChIKey is AFRLMSOCDMQZOR-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H22O/c1-11-5-7-12(8-6-11)15(4)10-9-13(16)14(15,2)3/h5-8,13,16H,9-10H2,1-4H3/t13-,15-/m0/s1.
What are the key properties of cis-(1S,3S)-2,2,3-trimethyl-3-(4-methylphenyl)cyclopentan-1-ol?
cis-(1S,3S)-2,2,3-trimethyl-3-(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 cis-(1S,3S)-2,2,3-trimethyl-3-(4-methylphenyl)cyclopentan-1-ol is sourced from PubChem (CID 5318539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).