5-(2-hydroxyethyl)-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol

C15H20O3 — CID 164541251

IUPAC5-(2-hydroxyethyl)-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol
SMILESCC1=C[C@@H](c2c(O)cc(CCO)cc2O)CCC1
InChIInChI=1S/C15H20O3/c1-10-3-2-4-12(7-10)15-13(17)8-11(5-6-16)9-14(15)18/h7-9,12,16-18H,2-6H2,1H3/t12-/m0/s1
InChIKeyQVCHLFHGHXYFGB-LBPRGKRZSA-N
MW248.32 g/mol
LogP2.85
Rot. Bonds3

About 5-(2-hydroxyethyl)-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol

5-(2-hydroxyethyl)-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol (PubChem CID 164541251) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 5-(2-hydroxyethyl)-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-(2-hydroxyethyl)-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol
PubChem CID164541251
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name5-(2-hydroxyethyl)-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol
SMILESCC1=C[C@@H](c2c(O)cc(CCO)cc2O)CCC1
InChIInChI=1S/C15H20O3/c1-10-3-2-4-12(7-10)15-13(17)8-11(5-6-16)9-14(15)18/h7-9,12,16-18H,2-6H2,1H3/t12-/m0/s1
InChIKeyQVCHLFHGHXYFGB-LBPRGKRZSA-N
XLogP2.85
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-decyl-2-(3-methylcyclohex-2-en-1-yl)benzene-1,3-diol;prop-1-ene
CID 155724419
ethane;5-methyl-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol;prop-1-ene
CID 172579088
3-(chloromethoxy)-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenol
CID 156727476
2-[(1S)-3-methylcyclohex-2-en-1-yl]-5-pentyl-3-propan-2-yloxyphenol
CID 155575168
4-[(1S)-3-methylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
CID 153373534
azane;2-[3-hydroxy-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenoxy]propan-2-yl dihydrogen phosphate
CID 167538191
3-(cyclohexyloxymethoxy)-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenol
CID 155461422
[3-hydroxy-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenyl] carbonochloridate;prop-1-ene
CID 156727455
5-heptyl-2-[3-(hydroxymethyl)cyclohex-2-en-1-yl]-3-methylphenol
CID 176660892
4-[(1S)-3-methylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol;prop-1-ene
CID 153373533
2,4-dihydroxy-N,6-dimethyl-3-(3-methylcyclohex-2-en-1-yl)benzamide
CID 156715882
[3-hydroxy-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenyl] 3-bromopropylsulfanylformate
CID 155447459

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyl)-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol?
The IUPAC name of 5-(2-hydroxyethyl)-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol (CID 164541251) is 5-(2-hydroxyethyl)-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol.
What is the SMILES notation for 5-(2-hydroxyethyl)-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol?
The canonical SMILES for 5-(2-hydroxyethyl)-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol is CC1=C[C@@H](c2c(O)cc(CCO)cc2O)CCC1.
What is the InChIKey of 5-(2-hydroxyethyl)-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol?
The InChIKey is QVCHLFHGHXYFGB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20O3/c1-10-3-2-4-12(7-10)15-13(17)8-11(5-6-16)9-14(15)18/h7-9,12,16-18H,2-6H2,1H3/t12-/m0/s1.
What are the key properties of 5-(2-hydroxyethyl)-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol?
5-(2-hydroxyethyl)-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol has a molecular weight of 248.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyl)-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol is sourced from PubChem (CID 164541251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).