(2-methyl-3-pent-2-enoxyphenyl)methanol

C13H18O2 — CID 175150852

IUPAC(2-methyl-3-pent-2-enoxyphenyl)methanol
SMILESCCC=CCOc1cccc(CO)c1C
InChIInChI=1S/C13H18O2/c1-3-4-5-9-15-13-8-6-7-12(10-14)11(13)2/h4-8,14H,3,9-10H2,1-2H3
InChIKeyOTLYDIJUFPRTQK-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.83
Rot. Bonds5

About (2-methyl-3-pent-2-enoxyphenyl)methanol

(2-methyl-3-pent-2-enoxyphenyl)methanol (PubChem CID 175150852) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (2-methyl-3-pent-2-enoxyphenyl)methanol.

Molecular Properties

Compound Name(2-methyl-3-pent-2-enoxyphenyl)methanol
PubChem CID175150852
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(2-methyl-3-pent-2-enoxyphenyl)methanol
SMILESCCC=CCOc1cccc(CO)c1C
InChIInChI=1S/C13H18O2/c1-3-4-5-9-15-13-8-6-7-12(10-14)11(13)2/h4-8,14H,3,9-10H2,1-2H3
InChIKeyOTLYDIJUFPRTQK-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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

[2-methyl-3-[(Z)-pent-2-enoxy]phenyl]methyl acetate
CID 151537685
calcium bis(2-methyl-3-[(Z)-pent-2-enoxy]benzoate)
CID 156777469
[3-(2-methoxyethoxy)-2-methylphenyl]methanol
CID 67112208
(2-methyl-3-phenylmethoxyphenyl)methanol
CID 58087471
ethane;(2-methyl-3-phenylmethoxyphenyl)methanol
CID 143384106
(E)-4-(2,3-dimethylphenoxy)-N-ethylbut-2-en-1-amine
CID 27242330
(2-prop-2-enoxyphenyl)methanol
CID 11137475
(E)-4-[2-(hydroxymethyl)phenoxy]but-2-enoic acid
CID 63653773
2-(3-ethyl-2-methylphenoxy)acetic acid
CID 165357581
1-(chloromethyl)-2-[(E)-4-[2-(chloromethyl)phenoxy]but-2-enoxy]benzene
CID 101421270
2-(3-hydroxy-2-methylphenoxy)acetaldehyde
CID 86739690
2-hex-2-enoxyphenol
CID 57375343

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-pent-2-enoxyphenyl)methanol?
The IUPAC name of (2-methyl-3-pent-2-enoxyphenyl)methanol (CID 175150852) is (2-methyl-3-pent-2-enoxyphenyl)methanol.
What is the SMILES notation for (2-methyl-3-pent-2-enoxyphenyl)methanol?
The canonical SMILES for (2-methyl-3-pent-2-enoxyphenyl)methanol is CCC=CCOc1cccc(CO)c1C.
What is the InChIKey of (2-methyl-3-pent-2-enoxyphenyl)methanol?
The InChIKey is OTLYDIJUFPRTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-4-5-9-15-13-8-6-7-12(10-14)11(13)2/h4-8,14H,3,9-10H2,1-2H3.
What are the key properties of (2-methyl-3-pent-2-enoxyphenyl)methanol?
(2-methyl-3-pent-2-enoxyphenyl)methanol has a molecular weight of 206.28 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-pent-2-enoxyphenyl)methanol is sourced from PubChem (CID 175150852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).