5-methyl-2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3-pentylphenol

C22H32O — CID 158228926

IUPAC5-methyl-2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3-pentylphenol
SMILESC=C(C)[C@@H]1CCC(C)=CC1c1c(O)cc(C)cc1CCCCC
InChIInChI=1S/C22H32O/c1-6-7-8-9-18-12-17(5)14-21(23)22(18)20-13-16(4)10-11-19(20)15(2)3/h12-14,19-20,23H,2,6-11H2,1,3-5H3/t19-,20?/m0/s1
InChIKeyGEDIQMPFNNJVFH-XJDOXCRVSA-N
MW312.50 g/mol
LogP6.45
Rot. Bonds6

About 5-methyl-2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3-pentylphenol

5-methyl-2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3-pentylphenol (PubChem CID 158228926) has the molecular formula C22H32O and a molecular weight of 312.50 g/mol. Its IUPAC name is 5-methyl-2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3-pentylphenol.

Molecular Properties

Compound Name5-methyl-2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3-pentylphenol
PubChem CID158228926
Molecular FormulaC22H32O
Molecular Weight312.50 g/mol
Exact Mass312.25
IUPAC Name5-methyl-2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3-pentylphenol
SMILESC=C(C)[C@@H]1CCC(C)=CC1c1c(O)cc(C)cc1CCCCC
InChIInChI=1S/C22H32O/c1-6-7-8-9-18-12-17(5)14-21(23)22(18)20-13-16(4)10-11-19(20)15(2)3/h12-14,19-20,23H,2,6-11H2,1,3-5H3/t19-,20?/m0/s1
InChIKeyGEDIQMPFNNJVFH-XJDOXCRVSA-N
XLogP6.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-methyl-2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3-pentylphenol with MolForge

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Related Compounds

4-bromo-2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
CID 10453172
2,4-dihydroxy-3-[(6S)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylbenzoic acid
CID 5315658
2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)-4-(oxetan-2-yl)-5-pentylbenzene-1,3-diol
CID 155575289
6-heptyl-2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzoic acid
CID 154673207
4-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-(4-phenylbutyl)benzene-1,3-diol
CID 164543708
3-fluoro-5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)phenol
CID 134237509
5-(2-methylheptan-2-yl)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol
CID 118642871
hexyl 2,4-dihydroxy-3-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylbenzoate
CID 170365325
trideuteriomethyl 2,4-dihydroxy-3-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-6-pentylbenzoate
CID 164771338
4-aza-1-azoniabicyclo[2.2.2]octane;4-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
CID 164973515
5-(4-hydroxybutyl)-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]benzene-1,3-diol
CID 155321288
4-methyl-2-[(1R,6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-5-propylbenzene-1,3-diol
CID 170775324

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3-pentylphenol?
The IUPAC name of 5-methyl-2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3-pentylphenol (CID 158228926) is 5-methyl-2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3-pentylphenol.
What is the SMILES notation for 5-methyl-2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3-pentylphenol?
The canonical SMILES for 5-methyl-2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3-pentylphenol is C=C(C)[C@@H]1CCC(C)=CC1c1c(O)cc(C)cc1CCCCC.
What is the InChIKey of 5-methyl-2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3-pentylphenol?
The InChIKey is GEDIQMPFNNJVFH-XJDOXCRVSA-N. The full InChI is InChI=1S/C22H32O/c1-6-7-8-9-18-12-17(5)14-21(23)22(18)20-13-16(4)10-11-19(20)15(2)3/h12-14,19-20,23H,2,6-11H2,1,3-5H3/t19-,20?/m0/s1.
What are the key properties of 5-methyl-2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3-pentylphenol?
5-methyl-2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3-pentylphenol has a molecular weight of 312.50 g/mol, XLogP of 6.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(6R)-3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl]-3-pentylphenol is sourced from PubChem (CID 158228926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).