(E)-9-(4-methoxyphenyl)-3-methylnon-6-en-3-ol

C17H26O2 — CID 22760095

IUPAC(E)-9-(4-methoxyphenyl)-3-methylnon-6-en-3-ol
SMILESCCC(C)(O)CC/C=C/CCc1ccc(OC)cc1
InChIInChI=1S/C17H26O2/c1-4-17(2,18)14-8-6-5-7-9-15-10-12-16(19-3)13-11-15/h5-6,10-13,18H,4,7-9,14H2,1-3H3/b6-5+
InChIKeyNAVJKHVMSYGTBS-AATRIKPKSA-N
MW262.39 g/mol
LogP4.13
Rot. Bonds8

About (E)-9-(4-methoxyphenyl)-3-methylnon-6-en-3-ol

(E)-9-(4-methoxyphenyl)-3-methylnon-6-en-3-ol (PubChem CID 22760095) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is (E)-9-(4-methoxyphenyl)-3-methylnon-6-en-3-ol.

Molecular Properties

Compound Name(E)-9-(4-methoxyphenyl)-3-methylnon-6-en-3-ol
PubChem CID22760095
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name(E)-9-(4-methoxyphenyl)-3-methylnon-6-en-3-ol
SMILESCCC(C)(O)CC/C=C/CCc1ccc(OC)cc1
InChIInChI=1S/C17H26O2/c1-4-17(2,18)14-8-6-5-7-9-15-10-12-16(19-3)13-11-15/h5-6,10-13,18H,4,7-9,14H2,1-3H3/b6-5+
InChIKeyNAVJKHVMSYGTBS-AATRIKPKSA-N
XLogP4.13
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.13
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

ethyl 5-(4-methoxyphenyl)pent-2-enoate
CID 66971568
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CID 15169394
1-[(E)-dec-3-enyl]-4-methoxybenzene
CID 11299600
1-(6,6-dimethyloctyl)-4-methoxybenzene
CID 54371242
1-(4-methoxyphenyl)-4,4-dimethylhexan-3-one
CID 114974365
1-[4-(4-methoxyphenyl)butan-2-ylamino]-2-methylbutan-2-ol
CID 65108512
(2R)-2-ethyl-2-hydroxy-5-(4-methoxyphenyl)pentanoic acid
CID 66960054
1-[(E)-dec-4-enyl]-4-methoxybenzene
CID 11288075
4-(dimethylamino)-1-(4-methoxyphenyl)-4-methylhexan-3-one
CID 79051107
ethyl 3-amino-5-(4-methoxyphenyl)-3-methylpentanoate
CID 79848371
1-methoxy-4-[1,1,3-tris(4-methoxyphenyl)propyl]benzene
CID 22900338

Frequently Asked Questions

What is the IUPAC name of (E)-9-(4-methoxyphenyl)-3-methylnon-6-en-3-ol?
The IUPAC name of (E)-9-(4-methoxyphenyl)-3-methylnon-6-en-3-ol (CID 22760095) is (E)-9-(4-methoxyphenyl)-3-methylnon-6-en-3-ol.
What is the SMILES notation for (E)-9-(4-methoxyphenyl)-3-methylnon-6-en-3-ol?
The canonical SMILES for (E)-9-(4-methoxyphenyl)-3-methylnon-6-en-3-ol is CCC(C)(O)CC/C=C/CCc1ccc(OC)cc1.
What is the InChIKey of (E)-9-(4-methoxyphenyl)-3-methylnon-6-en-3-ol?
The InChIKey is NAVJKHVMSYGTBS-AATRIKPKSA-N. The full InChI is InChI=1S/C17H26O2/c1-4-17(2,18)14-8-6-5-7-9-15-10-12-16(19-3)13-11-15/h5-6,10-13,18H,4,7-9,14H2,1-3H3/b6-5+.
What are the key properties of (E)-9-(4-methoxyphenyl)-3-methylnon-6-en-3-ol?
(E)-9-(4-methoxyphenyl)-3-methylnon-6-en-3-ol has a molecular weight of 262.39 g/mol, XLogP of 4.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-9-(4-methoxyphenyl)-3-methylnon-6-en-3-ol is sourced from PubChem (CID 22760095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).