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

C13H18O2 — CID 10104442

IUPAC5-(2-methoxyphenyl)-3-methylpent-1-en-3-ol
SMILESC=CC(C)(O)CCc1ccccc1OC
InChIInChI=1S/C13H18O2/c1-4-13(2,14)10-9-11-7-5-6-8-12(11)15-3/h4-8,14H,1,9-10H2,2-3H3
InChIKeyZDLJQHXHLVHPMB-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.56
Rot. Bonds5

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

5-(2-methoxyphenyl)-3-methylpent-1-en-3-ol (PubChem CID 10104442) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-3-methylpent-1-en-3-ol.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-3-methylpent-1-en-3-ol
PubChem CID10104442
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name5-(2-methoxyphenyl)-3-methylpent-1-en-3-ol
SMILESC=CC(C)(O)CCc1ccccc1OC
InChIInChI=1S/C13H18O2/c1-4-13(2,14)10-9-11-7-5-6-8-12(11)15-3/h4-8,14H,1,9-10H2,2-3H3
InChIKeyZDLJQHXHLVHPMB-UHFFFAOYSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.56
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

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CID 15437580
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CID 162553251
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CID 102642148
2-[2-(2-methoxyphenyl)ethyl]phenol
CID 10775715
1-methoxy-2-(2-methylidenebut-3-enyl)benzene
CID 13111835
(2R)-2-(2-methoxyphenyl)but-3-en-2-ol
CID 124509510
ethane;1-methoxy-2-[3-(2-methoxyphenyl)propyl]benzene
CID 91290457
2-[[4-(2-methoxyphenyl)-2-methylbutan-2-yl]amino]-2-oxoacetic acid
CID 94694724
6,6,6-trifluoro-5-(2-methoxyphenyl)-3-methylhex-1-en-3-ol
CID 101034644
(3S)-3-methyl-5-pyridin-2-ylpent-1-en-3-ol
CID 92532437
(2-(111C)methoxyphenyl)methanol
CID 59897789
1-methoxy-2-[2-[2-(2-methoxyphenyl)ethyldisulfanyl]ethyl]benzene
CID 175444939

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-3-methylpent-1-en-3-ol?
The IUPAC name of 5-(2-methoxyphenyl)-3-methylpent-1-en-3-ol (CID 10104442) is 5-(2-methoxyphenyl)-3-methylpent-1-en-3-ol.
What is the SMILES notation for 5-(2-methoxyphenyl)-3-methylpent-1-en-3-ol?
The canonical SMILES for 5-(2-methoxyphenyl)-3-methylpent-1-en-3-ol is C=CC(C)(O)CCc1ccccc1OC.
What is the InChIKey of 5-(2-methoxyphenyl)-3-methylpent-1-en-3-ol?
The InChIKey is ZDLJQHXHLVHPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-13(2,14)10-9-11-7-5-6-8-12(11)15-3/h4-8,14H,1,9-10H2,2-3H3.
What are the key properties of 5-(2-methoxyphenyl)-3-methylpent-1-en-3-ol?
5-(2-methoxyphenyl)-3-methylpent-1-en-3-ol has a molecular weight of 206.28 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-3-methylpent-1-en-3-ol is sourced from PubChem (CID 10104442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).