(E)-6-(3,4-dimethoxyphenyl)-2-methylhex-5-en-2-ol

C15H22O3 — CID 98016041

IUPAC(E)-6-(3,4-dimethoxyphenyl)-2-methylhex-5-en-2-ol
SMILESCOc1ccc(/C=C/CCC(C)(C)O)cc1OC
InChIInChI=1S/C15H22O3/c1-15(2,16)10-6-5-7-12-8-9-13(17-3)14(11-12)18-4/h5,7-9,11,16H,6,10H2,1-4H3/b7-5+
InChIKeyHWEURGRMZHKRCI-FNORWQNLSA-N
MW250.34 g/mol
LogP3.27
Rot. Bonds6

About (E)-6-(3,4-dimethoxyphenyl)-2-methylhex-5-en-2-ol

(E)-6-(3,4-dimethoxyphenyl)-2-methylhex-5-en-2-ol (PubChem CID 98016041) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (E)-6-(3,4-dimethoxyphenyl)-2-methylhex-5-en-2-ol.

Molecular Properties

Compound Name(E)-6-(3,4-dimethoxyphenyl)-2-methylhex-5-en-2-ol
PubChem CID98016041
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(E)-6-(3,4-dimethoxyphenyl)-2-methylhex-5-en-2-ol
SMILESCOc1ccc(/C=C/CCC(C)(C)O)cc1OC
InChIInChI=1S/C15H22O3/c1-15(2,16)10-6-5-7-12-8-9-13(17-3)14(11-12)18-4/h5,7-9,11,16H,6,10H2,1-4H3/b7-5+
InChIKeyHWEURGRMZHKRCI-FNORWQNLSA-N
XLogP3.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dimethoxy-4-[(E)-pent-1-enyl]benzene
CID 12892889
S-[4-(3,4-dimethoxyphenyl)but-3-enyl] ethanethioate
CID 170480387
(E)-2-methyl-6-(5,6,7,8-tetrahydronaphthalen-2-yl)hex-5-en-2-ol
CID 82478746
(E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid;ethane;2-methylpropan-2-ol
CID 142376812
4-(3,4-dimethoxyphenyl)but-3-enyl hydrogen sulfate
CID 162818086
4-[(E)-3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]disulfanyl]prop-1-enyl]-1,2-dimethoxybenzene
CID 122188364
(E)-4-(3,4-dimethoxyphenyl)but-3-enal
CID 87333792
(E)-2-methyl-6-phenylhex-5-en-2-ol
CID 82468818
4-(3,4-dimethoxyphenyl)-N-propylbut-3-en-1-amine
CID 79593408
1,7-bis(3,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 53393977
[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl] acetate
CID 5387771
4-[3-[4-(3,4-dimethoxyphenyl)but-3-enoxy]but-1-enyl]-1,2-dimethoxybenzene
CID 75041513

Frequently Asked Questions

What is the IUPAC name of (E)-6-(3,4-dimethoxyphenyl)-2-methylhex-5-en-2-ol?
The IUPAC name of (E)-6-(3,4-dimethoxyphenyl)-2-methylhex-5-en-2-ol (CID 98016041) is (E)-6-(3,4-dimethoxyphenyl)-2-methylhex-5-en-2-ol.
What is the SMILES notation for (E)-6-(3,4-dimethoxyphenyl)-2-methylhex-5-en-2-ol?
The canonical SMILES for (E)-6-(3,4-dimethoxyphenyl)-2-methylhex-5-en-2-ol is COc1ccc(/C=C/CCC(C)(C)O)cc1OC.
What is the InChIKey of (E)-6-(3,4-dimethoxyphenyl)-2-methylhex-5-en-2-ol?
The InChIKey is HWEURGRMZHKRCI-FNORWQNLSA-N. The full InChI is InChI=1S/C15H22O3/c1-15(2,16)10-6-5-7-12-8-9-13(17-3)14(11-12)18-4/h5,7-9,11,16H,6,10H2,1-4H3/b7-5+.
What are the key properties of (E)-6-(3,4-dimethoxyphenyl)-2-methylhex-5-en-2-ol?
(E)-6-(3,4-dimethoxyphenyl)-2-methylhex-5-en-2-ol has a molecular weight of 250.34 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-(3,4-dimethoxyphenyl)-2-methylhex-5-en-2-ol is sourced from PubChem (CID 98016041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).