2-[3-(hydroxymethyl)cyclohex-2-en-1-yl]-3-propan-2-yloxy-5-propylphenol

C19H28O3 — CID 142528946

IUPAC2-[3-(hydroxymethyl)cyclohex-2-en-1-yl]-3-propan-2-yloxy-5-propylphenol
SMILESCCCc1cc(O)c(C2C=C(CO)CCC2)c(OC(C)C)c1
InChIInChI=1S/C19H28O3/c1-4-6-14-10-17(21)19(18(11-14)22-13(2)3)16-8-5-7-15(9-16)12-20/h9-11,13,16,20-21H,4-8,12H2,1-3H3
InChIKeyJCAHCKJRVYCKNB-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.32
Rot. Bonds6

About 2-[3-(hydroxymethyl)cyclohex-2-en-1-yl]-3-propan-2-yloxy-5-propylphenol

2-[3-(hydroxymethyl)cyclohex-2-en-1-yl]-3-propan-2-yloxy-5-propylphenol (PubChem CID 142528946) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)cyclohex-2-en-1-yl]-3-propan-2-yloxy-5-propylphenol.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)cyclohex-2-en-1-yl]-3-propan-2-yloxy-5-propylphenol
PubChem CID142528946
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Name2-[3-(hydroxymethyl)cyclohex-2-en-1-yl]-3-propan-2-yloxy-5-propylphenol
SMILESCCCc1cc(O)c(C2C=C(CO)CCC2)c(OC(C)C)c1
InChIInChI=1S/C19H28O3/c1-4-6-14-10-17(21)19(18(11-14)22-13(2)3)16-8-5-7-15(9-16)12-20/h9-11,13,16,20-21H,4-8,12H2,1-3H3
InChIKeyJCAHCKJRVYCKNB-UHFFFAOYSA-N
XLogP4.32
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-propyl-2-[(1S)-3-sulfanylcyclohex-2-en-1-yl]-3-(1-sulfanylethoxy)phenol
CID 176573198
2-[(1S)-3-methylcyclohex-2-en-1-yl]-5-pentyl-3-propan-2-yloxyphenol
CID 155575168
5-heptyl-2-[3-(hydroxymethyl)cyclohex-2-en-1-yl]-3-methylphenol
CID 176660892
2-[(1S,6S)-3-(hydroxymethyl)-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol
CID 139494848
4-fluoro-2-[3-(hydroxymethyl)cyclohex-2-en-1-yl]-5-methylbenzene-1,3-diol
CID 178098764
3-(chloromethoxy)-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenol
CID 156727476
5-(2-hydroxyethyl)-2-[(1S)-3-methylcyclohex-2-en-1-yl]benzene-1,3-diol
CID 164541251
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
3-[benzyl(methoxy)phosphoryl]oxy-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenol
CID 155575815
azane;2-[3-hydroxy-2-(3-methylcyclohex-2-en-1-yl)-5-pentylphenoxy]propan-2-yl dihydrogen phosphate
CID 167538191
5-decyl-2-(3-methylcyclohex-2-en-1-yl)benzene-1,3-diol;prop-1-ene
CID 155724419

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)cyclohex-2-en-1-yl]-3-propan-2-yloxy-5-propylphenol?
The IUPAC name of 2-[3-(hydroxymethyl)cyclohex-2-en-1-yl]-3-propan-2-yloxy-5-propylphenol (CID 142528946) is 2-[3-(hydroxymethyl)cyclohex-2-en-1-yl]-3-propan-2-yloxy-5-propylphenol.
What is the SMILES notation for 2-[3-(hydroxymethyl)cyclohex-2-en-1-yl]-3-propan-2-yloxy-5-propylphenol?
The canonical SMILES for 2-[3-(hydroxymethyl)cyclohex-2-en-1-yl]-3-propan-2-yloxy-5-propylphenol is CCCc1cc(O)c(C2C=C(CO)CCC2)c(OC(C)C)c1.
What is the InChIKey of 2-[3-(hydroxymethyl)cyclohex-2-en-1-yl]-3-propan-2-yloxy-5-propylphenol?
The InChIKey is JCAHCKJRVYCKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O3/c1-4-6-14-10-17(21)19(18(11-14)22-13(2)3)16-8-5-7-15(9-16)12-20/h9-11,13,16,20-21H,4-8,12H2,1-3H3.
What are the key properties of 2-[3-(hydroxymethyl)cyclohex-2-en-1-yl]-3-propan-2-yloxy-5-propylphenol?
2-[3-(hydroxymethyl)cyclohex-2-en-1-yl]-3-propan-2-yloxy-5-propylphenol has a molecular weight of 304.43 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)cyclohex-2-en-1-yl]-3-propan-2-yloxy-5-propylphenol is sourced from PubChem (CID 142528946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).