1-(3-methoxyphenyl)-3,7-dimethyloct-6-en-1-ol

C17H26O2 — CID 14977112

IUPAC1-(3-methoxyphenyl)-3,7-dimethyloct-6-en-1-ol
SMILESCOc1cccc(C(O)CC(C)CCC=C(C)C)c1
InChIInChI=1S/C17H26O2/c1-13(2)7-5-8-14(3)11-17(18)15-9-6-10-16(12-15)19-4/h6-7,9-10,12,14,17-18H,5,8,11H2,1-4H3
InChIKeyMWQXGJHGZNMODY-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.50
Rot. Bonds7

About 1-(3-methoxyphenyl)-3,7-dimethyloct-6-en-1-ol

1-(3-methoxyphenyl)-3,7-dimethyloct-6-en-1-ol (PubChem CID 14977112) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3,7-dimethyloct-6-en-1-ol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3,7-dimethyloct-6-en-1-ol
PubChem CID14977112
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-(3-methoxyphenyl)-3,7-dimethyloct-6-en-1-ol
SMILESCOc1cccc(C(O)CC(C)CCC=C(C)C)c1
InChIInChI=1S/C17H26O2/c1-13(2)7-5-8-14(3)11-17(18)15-9-6-10-16(12-15)19-4/h6-7,9-10,12,14,17-18H,5,8,11H2,1-4H3
InChIKeyMWQXGJHGZNMODY-UHFFFAOYSA-N
XLogP4.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenyl)pentane-1,4-diol
CID 81134047
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CID 2793894
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CID 107900149
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
1-(3-methoxyphenyl)-2,3-dimethylbutan-1-ol
CID 114976753
3-methyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-ol
CID 107105020
1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol
CID 63892362
3-(3-methoxyphenyl)-5-methylhexan-1-ol
CID 112507986
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 78967042
3-methyl-1-(3-phenoxyphenyl)butan-1-ol
CID 63893717
methyl 4-hydroxy-4-(3-methoxyphenyl)butanoate
CID 60732490

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3,7-dimethyloct-6-en-1-ol?
The IUPAC name of 1-(3-methoxyphenyl)-3,7-dimethyloct-6-en-1-ol (CID 14977112) is 1-(3-methoxyphenyl)-3,7-dimethyloct-6-en-1-ol.
What is the SMILES notation for 1-(3-methoxyphenyl)-3,7-dimethyloct-6-en-1-ol?
The canonical SMILES for 1-(3-methoxyphenyl)-3,7-dimethyloct-6-en-1-ol is COc1cccc(C(O)CC(C)CCC=C(C)C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3,7-dimethyloct-6-en-1-ol?
The InChIKey is MWQXGJHGZNMODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-13(2)7-5-8-14(3)11-17(18)15-9-6-10-16(12-15)19-4/h6-7,9-10,12,14,17-18H,5,8,11H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-3,7-dimethyloct-6-en-1-ol?
1-(3-methoxyphenyl)-3,7-dimethyloct-6-en-1-ol has a molecular weight of 262.39 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3,7-dimethyloct-6-en-1-ol is sourced from PubChem (CID 14977112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).