2-methyl-2-phenylmethoxypent-4-en-1-ol

C13H18O2 — CID 14683661

IUPAC2-methyl-2-phenylmethoxypent-4-en-1-ol
SMILESC=CCC(C)(CO)OCc1ccccc1
InChIInChI=1S/C13H18O2/c1-3-9-13(2,11-14)15-10-12-7-5-4-6-8-12/h3-8,14H,1,9-11H2,2H3
InChIKeyXKTIIZCNWMBLHI-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.53
Rot. Bonds6

About 2-methyl-2-phenylmethoxypent-4-en-1-ol

2-methyl-2-phenylmethoxypent-4-en-1-ol (PubChem CID 14683661) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-methyl-2-phenylmethoxypent-4-en-1-ol.

Molecular Properties

Compound Name2-methyl-2-phenylmethoxypent-4-en-1-ol
PubChem CID14683661
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-methyl-2-phenylmethoxypent-4-en-1-ol
SMILESC=CCC(C)(CO)OCc1ccccc1
InChIInChI=1S/C13H18O2/c1-3-9-13(2,11-14)15-10-12-7-5-4-6-8-12/h3-8,14H,1,9-11H2,2H3
InChIKeyXKTIIZCNWMBLHI-UHFFFAOYSA-N
XLogP2.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.53
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

(3R)-4-hydroxy-3-methyl-3-phenylmethoxybutanal
CID 71388640
(2S)-2-amino-2-(phenylmethoxymethyl)pent-4-en-1-ol
CID 102246332
4-methylheptan-4-yloxymethylbenzene
CID 20782055
(2S)-2-methyl-3-octadecoxy-2-phenylmethoxypropan-1-ol
CID 69098016
carbon monoxide;chromium;2-methylbut-3-en-2-yloxymethylbenzene
CID 135050161
2-(2-phenylmethoxypent-4-en-2-yl)-4,5-dihydro-1,3-oxazole
CID 68676288
2,3-dimethyl-3-phenylmethoxybutan-2-ol
CID 14223230
(3S)-2,2-dimethyl-1-phenylmethoxyhex-5-en-3-ol
CID 53362755
(4R,6R)-5,5-dimethyl-6-phenylmethoxynona-1,8-dien-4-ol
CID 25018953
(1-chloro-3-iodo-2-methylpropan-2-yl)oxymethylbenzene
CID 114772524
tert-butyl N-[[(2R)-2-phenylmethoxy-2-(trifluoromethyl)pent-4-enoyl]amino]carbamate
CID 162772661
methoxymethylbenzene;methyl 3-[[2-(hydroxymethyl)-2-phenylpent-4-enoyl]amino]-2,2,3-trimethylbutanoate
CID 90800659

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenylmethoxypent-4-en-1-ol?
The IUPAC name of 2-methyl-2-phenylmethoxypent-4-en-1-ol (CID 14683661) is 2-methyl-2-phenylmethoxypent-4-en-1-ol.
What is the SMILES notation for 2-methyl-2-phenylmethoxypent-4-en-1-ol?
The canonical SMILES for 2-methyl-2-phenylmethoxypent-4-en-1-ol is C=CCC(C)(CO)OCc1ccccc1.
What is the InChIKey of 2-methyl-2-phenylmethoxypent-4-en-1-ol?
The InChIKey is XKTIIZCNWMBLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-9-13(2,11-14)15-10-12-7-5-4-6-8-12/h3-8,14H,1,9-11H2,2H3.
What are the key properties of 2-methyl-2-phenylmethoxypent-4-en-1-ol?
2-methyl-2-phenylmethoxypent-4-en-1-ol has a molecular weight of 206.28 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenylmethoxypent-4-en-1-ol is sourced from PubChem (CID 14683661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).