3-cyclohexyl-4-ethylbenzene-1,2-diol

C14H20O2 — CID 154435911

IUPAC3-cyclohexyl-4-ethylbenzene-1,2-diol
SMILESCCc1ccc(O)c(O)c1C1CCCCC1
InChIInChI=1S/C14H20O2/c1-2-10-8-9-12(15)14(16)13(10)11-6-4-3-5-7-11/h8-9,11,15-16H,2-7H2,1H3
InChIKeyVKWRLESDUVLDGS-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.71
Rot. Bonds2

About 3-cyclohexyl-4-ethylbenzene-1,2-diol

3-cyclohexyl-4-ethylbenzene-1,2-diol (PubChem CID 154435911) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-cyclohexyl-4-ethylbenzene-1,2-diol.

Molecular Properties

Compound Name3-cyclohexyl-4-ethylbenzene-1,2-diol
PubChem CID154435911
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-cyclohexyl-4-ethylbenzene-1,2-diol
SMILESCCc1ccc(O)c(O)c1C1CCCCC1
InChIInChI=1S/C14H20O2/c1-2-10-8-9-12(15)14(16)13(10)11-6-4-3-5-7-11/h8-9,11,15-16H,2-7H2,1H3
InChIKeyVKWRLESDUVLDGS-UHFFFAOYSA-N
XLogP3.71
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-6-ethyl-3-(hexoxymethyl)phenol
CID 68901705
2-cyclohexyl-1-ethyl-3-iodobenzene
CID 175261690
4-ethyl-3-iodobenzene-1,2-diol
CID 118010885
2-(3-cyclohexyl-4-fluoro-2-hydroxyphenyl)acetamide
CID 142905908
(5S)-5-amino-4-ethyl-5,6,7,8-tetrahydronaphthalen-1-ol
CID 131096656
(2-cyclohexyl-3-ethylphenyl) formate
CID 173400153
(3-cyclohexyl-5-ethyl-2-hydroxy-4-methylphenyl) hydrogen carbonate
CID 87859435
(3-cyclohexyl-4,5-diethyl-2-hydroxyphenyl) hydrogen carbonate
CID 87859267
(5S)-1,4-diethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79014213
4-cyclopropyl-2-ethylphenol
CID 22039039
2,6-dicyclohexyl-3-methylphenol
CID 3022567
2-cyclohexyl-3-[1-[2-cyclohexyl-3-hydroxy-4-[(2-hydroxy-5-methylphenyl)methyl]phenyl]cyclohexyl]-6-[(2-hydroxy-5-methylphenyl)methyl]phenol
CID 175736441

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4-ethylbenzene-1,2-diol?
The IUPAC name of 3-cyclohexyl-4-ethylbenzene-1,2-diol (CID 154435911) is 3-cyclohexyl-4-ethylbenzene-1,2-diol.
What is the SMILES notation for 3-cyclohexyl-4-ethylbenzene-1,2-diol?
The canonical SMILES for 3-cyclohexyl-4-ethylbenzene-1,2-diol is CCc1ccc(O)c(O)c1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-4-ethylbenzene-1,2-diol?
The InChIKey is VKWRLESDUVLDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-2-10-8-9-12(15)14(16)13(10)11-6-4-3-5-7-11/h8-9,11,15-16H,2-7H2,1H3.
What are the key properties of 3-cyclohexyl-4-ethylbenzene-1,2-diol?
3-cyclohexyl-4-ethylbenzene-1,2-diol has a molecular weight of 220.31 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-ethylbenzene-1,2-diol is sourced from PubChem (CID 154435911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).