1-methoxy-4,4-dimethyl-3-phenylpenta-1,2-dien-1-ol

C14H18O2 — CID 134922212

IUPAC1-methoxy-4,4-dimethyl-3-phenylpenta-1,2-dien-1-ol
SMILESCOC(O)=C=C(c1ccccc1)C(C)(C)C
InChIInChI=1S/C14H18O2/c1-14(2,3)12(10-13(15)16-4)11-8-6-5-7-9-11/h5-9,15H,1-4H3
InChIKeySTJBQWAWJSTKCE-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.76
Rot. Bonds2

About 1-methoxy-4,4-dimethyl-3-phenylpenta-1,2-dien-1-ol

1-methoxy-4,4-dimethyl-3-phenylpenta-1,2-dien-1-ol (PubChem CID 134922212) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-methoxy-4,4-dimethyl-3-phenylpenta-1,2-dien-1-ol.

Molecular Properties

Compound Name1-methoxy-4,4-dimethyl-3-phenylpenta-1,2-dien-1-ol
PubChem CID134922212
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-methoxy-4,4-dimethyl-3-phenylpenta-1,2-dien-1-ol
SMILESCOC(O)=C=C(c1ccccc1)C(C)(C)C
InChIInChI=1S/C14H18O2/c1-14(2,3)12(10-13(15)16-4)11-8-6-5-7-9-11/h5-9,15H,1-4H3
InChIKeySTJBQWAWJSTKCE-UHFFFAOYSA-N
XLogP3.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl 2,2-dimethyl-4-oxo-4-phenylbutanoate
CID 18948507
methyl 2,2-dihydroxy-3-oxo-3-phenylpropanoate
CID 10081832
methyl 2-hydroxy-2-methyl-4-phenylpent-4-enoate
CID 102353733
methyl N-(2,2-dimethyl-1-phenylpropylidene)carbamate
CID 74010338
1-methoxy-4,4-dimethyl-1-phenylpent-1-en-3-one
CID 72743571
methyl 3,3-dimethyl-4-oxo-4-phenylbutanoate
CID 57437539
2-methoxy-2-phenylethenone
CID 11819198
[methoxy(phenyl)methylidene]manganese
CID 134898444
methyl 2-benzamido-2-sulfanylpropanoate
CID 53440930
2-hydroxy-3-methoxy-2,3-dimethyl-1-phenylbutan-1-one
CID 19878470
4,4-dimethyl-1-phenyl-3-sulfanylidenepentan-1-one
CID 21113703
N-(3,3-dimethyl-2-oxobutanoyl)benzamide
CID 132515762

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4,4-dimethyl-3-phenylpenta-1,2-dien-1-ol?
The IUPAC name of 1-methoxy-4,4-dimethyl-3-phenylpenta-1,2-dien-1-ol (CID 134922212) is 1-methoxy-4,4-dimethyl-3-phenylpenta-1,2-dien-1-ol.
What is the SMILES notation for 1-methoxy-4,4-dimethyl-3-phenylpenta-1,2-dien-1-ol?
The canonical SMILES for 1-methoxy-4,4-dimethyl-3-phenylpenta-1,2-dien-1-ol is COC(O)=C=C(c1ccccc1)C(C)(C)C.
What is the InChIKey of 1-methoxy-4,4-dimethyl-3-phenylpenta-1,2-dien-1-ol?
The InChIKey is STJBQWAWJSTKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-14(2,3)12(10-13(15)16-4)11-8-6-5-7-9-11/h5-9,15H,1-4H3.
What are the key properties of 1-methoxy-4,4-dimethyl-3-phenylpenta-1,2-dien-1-ol?
1-methoxy-4,4-dimethyl-3-phenylpenta-1,2-dien-1-ol has a molecular weight of 218.30 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4,4-dimethyl-3-phenylpenta-1,2-dien-1-ol is sourced from PubChem (CID 134922212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).