2,4-dimethoxy-6-pentadec-10-enylphenol

C23H38O3 — CID 78385594

IUPAC2,4-dimethoxy-6-pentadec-10-enylphenol
SMILESCCCCC=CCCCCCCCCCc1cc(OC)cc(OC)c1O
InChIInChI=1S/C23H38O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h7-8,18-19,24H,4-6,9-17H2,1-3H3
InChIKeyGBCXPDPXQWPCTG-UHFFFAOYSA-N
MW362.55 g/mol
LogP6.82
Rot. Bonds15

About 2,4-dimethoxy-6-pentadec-10-enylphenol

2,4-dimethoxy-6-pentadec-10-enylphenol (PubChem CID 78385594) has the molecular formula C23H38O3 and a molecular weight of 362.55 g/mol. Its IUPAC name is 2,4-dimethoxy-6-pentadec-10-enylphenol.

Molecular Properties

Compound Name2,4-dimethoxy-6-pentadec-10-enylphenol
PubChem CID78385594
Molecular FormulaC23H38O3
Molecular Weight362.55 g/mol
Exact Mass362.28
IUPAC Name2,4-dimethoxy-6-pentadec-10-enylphenol
SMILESCCCCC=CCCCCCCCCCc1cc(OC)cc(OC)c1O
InChIInChI=1S/C23H38O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h7-8,18-19,24H,4-6,9-17H2,1-3H3
InChIKeyGBCXPDPXQWPCTG-UHFFFAOYSA-N
XLogP6.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.55
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethoxy-6-pentylphenol
CID 13197794
4-bromo-3-methoxy-5-[(E)-pentadec-10-enyl]phenol
CID 10093030
4-bromo-2-hexyl-6-methoxyphenol
CID 20721135
(4-hydroxy-2-methoxy-6-pentadec-10-enylphenyl) acetate
CID 72681631
2-[(dimethylamino)methyl]-3-[(Z)-heptadec-10-enyl]-5-methoxybenzene-1,4-diol
CID 5387960
(E)-N-(2,4,6-trimethoxyphenyl)icos-11-enamide
CID 67862538
(Z)-N-(2,4,6-trimethoxyphenyl)octadec-9-enamide
CID 14157095
1,5-dimethoxy-2-methylsulfanyl-3-pentylbenzene
CID 156744288
3-[(E)-16-(2,5-dihydroxy-3,6-dimethoxyphenyl)hexadec-8-enyl]-2,5-dimethoxybenzene-1,4-diol
CID 10325490
2,4-dimethoxy-6-pentylbenzoic acid
CID 12658769
1-decyl-2,4-dimethoxybenzene
CID 524862
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-pentadec-10-enylphenol?
The IUPAC name of 2,4-dimethoxy-6-pentadec-10-enylphenol (CID 78385594) is 2,4-dimethoxy-6-pentadec-10-enylphenol.
What is the SMILES notation for 2,4-dimethoxy-6-pentadec-10-enylphenol?
The canonical SMILES for 2,4-dimethoxy-6-pentadec-10-enylphenol is CCCCC=CCCCCCCCCCc1cc(OC)cc(OC)c1O.
What is the InChIKey of 2,4-dimethoxy-6-pentadec-10-enylphenol?
The InChIKey is GBCXPDPXQWPCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-21(25-2)19-22(26-3)23(20)24/h7-8,18-19,24H,4-6,9-17H2,1-3H3.
What are the key properties of 2,4-dimethoxy-6-pentadec-10-enylphenol?
2,4-dimethoxy-6-pentadec-10-enylphenol has a molecular weight of 362.55 g/mol, XLogP of 6.82, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-pentadec-10-enylphenol is sourced from PubChem (CID 78385594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).