4-ethyl-1-phenylcycloheptan-1-ol

C15H22O — CID 65085687

IUPAC4-ethyl-1-phenylcycloheptan-1-ol
SMILESCCC1CCCC(O)(c2ccccc2)CC1
InChIInChI=1S/C15H22O/c1-2-13-7-6-11-15(16,12-10-13)14-8-4-3-5-9-14/h3-5,8-9,13,16H,2,6-7,10-12H2,1H3
InChIKeySQSNMUJMQSAJIP-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.86
Rot. Bonds2

About 4-ethyl-1-phenylcycloheptan-1-ol

4-ethyl-1-phenylcycloheptan-1-ol (PubChem CID 65085687) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-ethyl-1-phenylcycloheptan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-phenylcycloheptan-1-ol
PubChem CID65085687
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name4-ethyl-1-phenylcycloheptan-1-ol
SMILESCCC1CCCC(O)(c2ccccc2)CC1
InChIInChI=1S/C15H22O/c1-2-13-7-6-11-15(16,12-10-13)14-8-4-3-5-9-14/h3-5,8-9,13,16H,2,6-7,10-12H2,1H3
InChIKeySQSNMUJMQSAJIP-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-phenylcycloheptan-1-ol?
The IUPAC name of 4-ethyl-1-phenylcycloheptan-1-ol (CID 65085687) is 4-ethyl-1-phenylcycloheptan-1-ol.
What is the SMILES notation for 4-ethyl-1-phenylcycloheptan-1-ol?
The canonical SMILES for 4-ethyl-1-phenylcycloheptan-1-ol is CCC1CCCC(O)(c2ccccc2)CC1.
What is the InChIKey of 4-ethyl-1-phenylcycloheptan-1-ol?
The InChIKey is SQSNMUJMQSAJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-2-13-7-6-11-15(16,12-10-13)14-8-4-3-5-9-14/h3-5,8-9,13,16H,2,6-7,10-12H2,1H3.
What are the key properties of 4-ethyl-1-phenylcycloheptan-1-ol?
4-ethyl-1-phenylcycloheptan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-phenylcycloheptan-1-ol is sourced from PubChem (CID 65085687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).