1-(3-methoxyphenyl)-5-methylhex-5-en-2-ol

C14H20O2 — CID 114473809

IUPAC1-(3-methoxyphenyl)-5-methylhex-5-en-2-ol
SMILESC=C(C)CCC(O)Cc1cccc(OC)c1
InChIInChI=1S/C14H20O2/c1-11(2)7-8-13(15)9-12-5-4-6-14(10-12)16-3/h4-6,10,13,15H,1,7-9H2,2-3H3
InChIKeyQQVGRMIWRJAICF-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.95
Rot. Bonds6

About 1-(3-methoxyphenyl)-5-methylhex-5-en-2-ol

1-(3-methoxyphenyl)-5-methylhex-5-en-2-ol (PubChem CID 114473809) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-methylhex-5-en-2-ol.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-methylhex-5-en-2-ol
PubChem CID114473809
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-(3-methoxyphenyl)-5-methylhex-5-en-2-ol
SMILESC=C(C)CCC(O)Cc1cccc(OC)c1
InChIInChI=1S/C14H20O2/c1-11(2)7-8-13(15)9-12-5-4-6-14(10-12)16-3/h4-6,10,13,15H,1,7-9H2,2-3H3
InChIKeyQQVGRMIWRJAICF-UHFFFAOYSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.95
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)pentan-2-ol
CID 61261615
1-(3-methoxyphenyl)-4-phenylbutan-2-ol
CID 55136240
5-chloro-1-(3-methoxyphenyl)pentan-2-ol
CID 66046833
1-(3-methoxyphenyl)non-8-en-2-ol
CID 107008507
5-ethylsulfonyl-1-(3-methoxyphenyl)pentan-2-ol
CID 65095333
1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol
CID 62608080
1-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propan-2-ol
CID 62606541
2-[(3-methoxyphenyl)methyl]-4-methylpent-4-enoic acid
CID 79419135
methyl 4-hydroxy-5-[(3-methoxyphenyl)methylamino]pentanoate
CID 115123590
1-(3-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008036
tert-butyl N-[(3R)-3-hydroxy-4-(3-methoxyphenyl)butyl]carbamate
CID 129406598
5-(3-methoxyphenyl)-4-methylpentan-2-ol
CID 64721891

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-methylhex-5-en-2-ol?
The IUPAC name of 1-(3-methoxyphenyl)-5-methylhex-5-en-2-ol (CID 114473809) is 1-(3-methoxyphenyl)-5-methylhex-5-en-2-ol.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-methylhex-5-en-2-ol?
The canonical SMILES for 1-(3-methoxyphenyl)-5-methylhex-5-en-2-ol is C=C(C)CCC(O)Cc1cccc(OC)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-methylhex-5-en-2-ol?
The InChIKey is QQVGRMIWRJAICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(2)7-8-13(15)9-12-5-4-6-14(10-12)16-3/h4-6,10,13,15H,1,7-9H2,2-3H3.
What are the key properties of 1-(3-methoxyphenyl)-5-methylhex-5-en-2-ol?
1-(3-methoxyphenyl)-5-methylhex-5-en-2-ol has a molecular weight of 220.31 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-methylhex-5-en-2-ol is sourced from PubChem (CID 114473809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).