4,5-dimethoxy-2-(6-methylhept-5-en-2-yl)phenol

C16H24O3 — CID 10934350

IUPAC4,5-dimethoxy-2-(6-methylhept-5-en-2-yl)phenol
SMILESCOc1cc(O)c(C(C)CCC=C(C)C)cc1OC
InChIInChI=1S/C16H24O3/c1-11(2)7-6-8-12(3)13-9-15(18-4)16(19-5)10-14(13)17/h7,9-10,12,17H,6,8H2,1-5H3
InChIKeyDBANSLRLXWXKRN-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.26
Rot. Bonds6

About 4,5-dimethoxy-2-(6-methylhept-5-en-2-yl)phenol

4,5-dimethoxy-2-(6-methylhept-5-en-2-yl)phenol (PubChem CID 10934350) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(6-methylhept-5-en-2-yl)phenol.

Molecular Properties

Compound Name4,5-dimethoxy-2-(6-methylhept-5-en-2-yl)phenol
PubChem CID10934350
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name4,5-dimethoxy-2-(6-methylhept-5-en-2-yl)phenol
SMILESCOc1cc(O)c(C(C)CCC=C(C)C)cc1OC
InChIInChI=1S/C16H24O3/c1-11(2)7-6-8-12(3)13-9-15(18-4)16(19-5)10-14(13)17/h7,9-10,12,17H,6,8H2,1-5H3
InChIKeyDBANSLRLXWXKRN-UHFFFAOYSA-N
XLogP4.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-fluoroethyl)-4,5-dimethoxyphenol
CID 84669374
2-(4-aminobutan-2-yl)-4-bromo-5-methoxyphenol
CID 117437677
2-(2,5-dimethoxy-4-methylphenyl)-6-methylhept-5-enenitrile
CID 46201103
2,4-dibromo-3-methyl-6-[(2R)-6-methylhept-5-en-2-yl]phenol
CID 11090123
5-chloro-2-(1-hydroxypropan-2-yl)-4-methoxyphenol
CID 68794132
3-methoxy-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexa-2,5-diene-1,4-dione
CID 102204926
[(3S)-3,7-dimethyloct-6-enyl] 2-(4-hydroxy-3-methoxyphenyl)acetate
CID 134231777
(4R)-4-(2,5-dimethoxy-4-methylphenyl)pentanal
CID 54589628
5-ethyl-2-methoxy-4-[(2S)-pentan-2-yl]phenol
CID 93477742
5-ethyl-2-methoxy-4-pentan-2-ylphenol
CID 10307983
4-hydroxy-5-(1-hydroxypropan-2-yl)-2-methoxybenzonitrile
CID 117295775
2-(7,11-dimethyldodeca-6,10-dien-3-yl)-5,6-dimethoxy-1-benzofuran
CID 154075811

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-(6-methylhept-5-en-2-yl)phenol?
The IUPAC name of 4,5-dimethoxy-2-(6-methylhept-5-en-2-yl)phenol (CID 10934350) is 4,5-dimethoxy-2-(6-methylhept-5-en-2-yl)phenol.
What is the SMILES notation for 4,5-dimethoxy-2-(6-methylhept-5-en-2-yl)phenol?
The canonical SMILES for 4,5-dimethoxy-2-(6-methylhept-5-en-2-yl)phenol is COc1cc(O)c(C(C)CCC=C(C)C)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-(6-methylhept-5-en-2-yl)phenol?
The InChIKey is DBANSLRLXWXKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-11(2)7-6-8-12(3)13-9-15(18-4)16(19-5)10-14(13)17/h7,9-10,12,17H,6,8H2,1-5H3.
What are the key properties of 4,5-dimethoxy-2-(6-methylhept-5-en-2-yl)phenol?
4,5-dimethoxy-2-(6-methylhept-5-en-2-yl)phenol has a molecular weight of 264.37 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-(6-methylhept-5-en-2-yl)phenol is sourced from PubChem (CID 10934350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).