cis-(1R,3S)-3-[(3-methylphenyl)methoxy]cyclohexan-1-ol

C14H20O2 — CID 141095179

IUPACcis-(1R,3S)-3-[(3-methylphenyl)methoxy]cyclohexan-1-ol
SMILESCc1cccc(CO[C@H]2CCC[C@@H](O)C2)c1
InChIInChI=1S/C14H20O2/c1-11-4-2-5-12(8-11)10-16-14-7-3-6-13(15)9-14/h2,4-5,8,13-15H,3,6-7,9-10H2,1H3/t13-,14+/m1/s1
InChIKeyAVZGDMCSYRWHAN-KGLIPLIRSA-N
MW220.31 g/mol
LogP2.82
Rot. Bonds3

About cis-(1R,3S)-3-[(3-methylphenyl)methoxy]cyclohexan-1-ol

cis-(1R,3S)-3-[(3-methylphenyl)methoxy]cyclohexan-1-ol (PubChem CID 141095179) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(3-methylphenyl)methoxy]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(3-methylphenyl)methoxy]cyclohexan-1-ol
PubChem CID141095179
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Namecis-(1R,3S)-3-[(3-methylphenyl)methoxy]cyclohexan-1-ol
SMILESCc1cccc(CO[C@H]2CCC[C@@H](O)C2)c1
InChIInChI=1S/C14H20O2/c1-11-4-2-5-12(8-11)10-16-14-7-3-6-13(15)9-14/h2,4-5,8,13-15H,3,6-7,9-10H2,1H3/t13-,14+/m1/s1
InChIKeyAVZGDMCSYRWHAN-KGLIPLIRSA-N
XLogP2.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(3-methylphenyl)methoxy]cyclohexan-1-ol?
The IUPAC name of cis-(1R,3S)-3-[(3-methylphenyl)methoxy]cyclohexan-1-ol (CID 141095179) is cis-(1R,3S)-3-[(3-methylphenyl)methoxy]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,3S)-3-[(3-methylphenyl)methoxy]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,3S)-3-[(3-methylphenyl)methoxy]cyclohexan-1-ol is Cc1cccc(CO[C@H]2CCC[C@@H](O)C2)c1.
What is the InChIKey of cis-(1R,3S)-3-[(3-methylphenyl)methoxy]cyclohexan-1-ol?
The InChIKey is AVZGDMCSYRWHAN-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H20O2/c1-11-4-2-5-12(8-11)10-16-14-7-3-6-13(15)9-14/h2,4-5,8,13-15H,3,6-7,9-10H2,1H3/t13-,14+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(3-methylphenyl)methoxy]cyclohexan-1-ol?
cis-(1R,3S)-3-[(3-methylphenyl)methoxy]cyclohexan-1-ol has a molecular weight of 220.31 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(3-methylphenyl)methoxy]cyclohexan-1-ol is sourced from PubChem (CID 141095179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).