(2-phenylcyclohexyl) formate

C13H16O2 — CID 87286934

IUPAC(2-phenylcyclohexyl) formate
SMILESO=COC1CCCCC1c1ccccc1
InChIInChI=1S/C13H16O2/c14-10-15-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-3,6-7,10,12-13H,4-5,8-9H2
InChIKeyMNELAQCESGNQLT-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.89
Rot. Bonds3

About (2-phenylcyclohexyl) formate

(2-phenylcyclohexyl) formate (PubChem CID 87286934) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2-phenylcyclohexyl) formate.

Molecular Properties

Compound Name(2-phenylcyclohexyl) formate
PubChem CID87286934
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2-phenylcyclohexyl) formate
SMILESO=COC1CCCCC1c1ccccc1
InChIInChI=1S/C13H16O2/c14-10-15-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-3,6-7,10,12-13H,4-5,8-9H2
InChIKeyMNELAQCESGNQLT-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze (2-phenylcyclohexyl) formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-phenylcyclohexyl) 2-oxoacetate
CID 13498606
[(1S)-2-phenylcyclohexyl] acetate
CID 130428408
[(1R,2R)-2-phenylcyclohexyl] [(1S,2R)-2-phenylcyclohexyl] [(1S,2S)-2-phenylcyclohexyl] borate
CID 125124690
[(1R,2S)-2-phenylcyclohexyl] carbonochloridate
CID 15691294
[(1S,2R)-2-prop-2-enoxycyclohexyl]benzene
CID 11264404
[(1R,2S)-2-phenylcyclohexyl]oxyphosphinite
CID 102484366
[(1R,2S)-2-phenylcyclohexyl] N-[[(1R,2S)-2-phenylcyclohexyl]oxycarbonylamino]carbamate
CID 134883244
[(1R,2S)-2-buta-1,3-dien-2-yloxycyclohexyl]benzene
CID 102426491
[(1R,2S)-2-phenylcyclopentyl] methanesulfonate
CID 121416459
(2-phenylcyclohexyl) 3-phenylprop-2-ynoate
CID 15189887
[(2S)-2-phenylcyclohexyl] 3-phenylprop-2-ynoate
CID 2755291
trans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride
CID 21128019

Frequently Asked Questions

What is the IUPAC name of (2-phenylcyclohexyl) formate?
The IUPAC name of (2-phenylcyclohexyl) formate (CID 87286934) is (2-phenylcyclohexyl) formate.
What is the SMILES notation for (2-phenylcyclohexyl) formate?
The canonical SMILES for (2-phenylcyclohexyl) formate is O=COC1CCCCC1c1ccccc1.
What is the InChIKey of (2-phenylcyclohexyl) formate?
The InChIKey is MNELAQCESGNQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c14-10-15-13-9-5-4-8-12(13)11-6-2-1-3-7-11/h1-3,6-7,10,12-13H,4-5,8-9H2.
What are the key properties of (2-phenylcyclohexyl) formate?
(2-phenylcyclohexyl) formate has a molecular weight of 204.27 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylcyclohexyl) formate is sourced from PubChem (CID 87286934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).