phenyl 2-(1-hydroxycyclohexyl)acetate

C14H18O3 — CID 57448980

IUPACphenyl 2-(1-hydroxycyclohexyl)acetate
SMILESO=C(CC1(O)CCCCC1)Oc1ccccc1
InChIInChI=1S/C14H18O3/c15-13(17-12-7-3-1-4-8-12)11-14(16)9-5-2-6-10-14/h1,3-4,7-8,16H,2,5-6,9-11H2
InChIKeyLAYVSJRJPRNPSF-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.68
Rot. Bonds3

About phenyl 2-(1-hydroxycyclohexyl)acetate

phenyl 2-(1-hydroxycyclohexyl)acetate (PubChem CID 57448980) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is phenyl 2-(1-hydroxycyclohexyl)acetate.

Molecular Properties

Compound Namephenyl 2-(1-hydroxycyclohexyl)acetate
PubChem CID57448980
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Namephenyl 2-(1-hydroxycyclohexyl)acetate
SMILESO=C(CC1(O)CCCCC1)Oc1ccccc1
InChIInChI=1S/C14H18O3/c15-13(17-12-7-3-1-4-8-12)11-14(16)9-5-2-6-10-14/h1,3-4,7-8,16H,2,5-6,9-11H2
InChIKeyLAYVSJRJPRNPSF-UHFFFAOYSA-N
XLogP2.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(trifluoromethoxy)phenyl] 2-(1-hydroxycyclohexyl)acetate
CID 91574201
phenyl N-[(1-hydroxycyclohexyl)methyl]carbamate
CID 65110390
naphthalen-1-yl 2-(1-hydroxycyclopentyl)acetate
CID 91093262
2-(1-hydroxycyclohexyl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 111446341
phenyl 1-aminocyclopentane-1-carboxylate
CID 45089706
phenyl propanoate
CID 161258381
phenyl 2-selanylacetate
CID 174249881
3-oxo-3-phenoxypropanoic acid
CID 3015801
phenyl N-(1-methylcyclodecyl)carbamate
CID 130359275
phenyl N-[1-(hydroxymethyl)cyclopentyl]carbamate
CID 62521229
diphenyl 2-methylbutanedioate
CID 19419895
benzyl 2-(4-hydroxy-1,1-dioxothian-4-yl)acetate
CID 117272507

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(1-hydroxycyclohexyl)acetate?
The IUPAC name of phenyl 2-(1-hydroxycyclohexyl)acetate (CID 57448980) is phenyl 2-(1-hydroxycyclohexyl)acetate.
What is the SMILES notation for phenyl 2-(1-hydroxycyclohexyl)acetate?
The canonical SMILES for phenyl 2-(1-hydroxycyclohexyl)acetate is O=C(CC1(O)CCCCC1)Oc1ccccc1.
What is the InChIKey of phenyl 2-(1-hydroxycyclohexyl)acetate?
The InChIKey is LAYVSJRJPRNPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c15-13(17-12-7-3-1-4-8-12)11-14(16)9-5-2-6-10-14/h1,3-4,7-8,16H,2,5-6,9-11H2.
What are the key properties of phenyl 2-(1-hydroxycyclohexyl)acetate?
phenyl 2-(1-hydroxycyclohexyl)acetate has a molecular weight of 234.30 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(1-hydroxycyclohexyl)acetate is sourced from PubChem (CID 57448980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).