trans-(1R,3R)-3-phenylcycloheptan-1-ol

C13H18O — CID 95376716

IUPACtrans-(1R,3R)-3-phenylcycloheptan-1-ol
SMILESO[C@@H]1CCCC[C@@H](c2ccccc2)C1
InChIInChI=1S/C13H18O/c14-13-9-5-4-8-12(10-13)11-6-2-1-3-7-11/h1-3,6-7,12-14H,4-5,8-10H2/t12-,13-/m1/s1
InChIKeyPWEFIUJVBSBVHN-CHWSQXEVSA-N
MW190.29 g/mol
LogP3.10
Rot. Bonds1

About trans-(1R,3R)-3-phenylcycloheptan-1-ol

trans-(1R,3R)-3-phenylcycloheptan-1-ol (PubChem CID 95376716) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is trans-(1R,3R)-3-phenylcycloheptan-1-ol.

Molecular Properties

Compound Nametrans-(1R,3R)-3-phenylcycloheptan-1-ol
PubChem CID95376716
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Nametrans-(1R,3R)-3-phenylcycloheptan-1-ol
SMILESO[C@@H]1CCCC[C@@H](c2ccccc2)C1
InChIInChI=1S/C13H18O/c14-13-9-5-4-8-12(10-13)11-6-2-1-3-7-11/h1-3,6-7,12-14H,4-5,8-10H2/t12-,13-/m1/s1
InChIKeyPWEFIUJVBSBVHN-CHWSQXEVSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-phenylcycloheptan-1-ol?
The IUPAC name of trans-(1R,3R)-3-phenylcycloheptan-1-ol (CID 95376716) is trans-(1R,3R)-3-phenylcycloheptan-1-ol.
What is the SMILES notation for trans-(1R,3R)-3-phenylcycloheptan-1-ol?
The canonical SMILES for trans-(1R,3R)-3-phenylcycloheptan-1-ol is O[C@@H]1CCCC[C@@H](c2ccccc2)C1.
What is the InChIKey of trans-(1R,3R)-3-phenylcycloheptan-1-ol?
The InChIKey is PWEFIUJVBSBVHN-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H18O/c14-13-9-5-4-8-12(10-13)11-6-2-1-3-7-11/h1-3,6-7,12-14H,4-5,8-10H2/t12-,13-/m1/s1.
What are the key properties of trans-(1R,3R)-3-phenylcycloheptan-1-ol?
trans-(1R,3R)-3-phenylcycloheptan-1-ol has a molecular weight of 190.29 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-phenylcycloheptan-1-ol is sourced from PubChem (CID 95376716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).