(Z)-4-(3-methoxyphenyl)-2,3-dimethylhex-3-en-2-ol

C15H22O2 — CID 89472521

IUPAC(Z)-4-(3-methoxyphenyl)-2,3-dimethylhex-3-en-2-ol
SMILESCC/C(=C(\C)C(C)(C)O)c1cccc(OC)c1
InChIInChI=1S/C15H22O2/c1-6-14(11(2)15(3,4)16)12-8-7-9-13(10-12)17-5/h7-10,16H,6H2,1-5H3/b14-11-
InChIKeyOVHRTBYAMSLTEU-KAMYIIQDSA-N
MW234.34 g/mol
LogP3.65
Rot. Bonds4

About (Z)-4-(3-methoxyphenyl)-2,3-dimethylhex-3-en-2-ol

(Z)-4-(3-methoxyphenyl)-2,3-dimethylhex-3-en-2-ol (PubChem CID 89472521) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (Z)-4-(3-methoxyphenyl)-2,3-dimethylhex-3-en-2-ol.

Molecular Properties

Compound Name(Z)-4-(3-methoxyphenyl)-2,3-dimethylhex-3-en-2-ol
PubChem CID89472521
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(Z)-4-(3-methoxyphenyl)-2,3-dimethylhex-3-en-2-ol
SMILESCC/C(=C(\C)C(C)(C)O)c1cccc(OC)c1
InChIInChI=1S/C15H22O2/c1-6-14(11(2)15(3,4)16)12-8-7-9-13(10-12)17-5/h7-10,16H,6H2,1-5H3/b14-11-
InChIKeyOVHRTBYAMSLTEU-KAMYIIQDSA-N
XLogP3.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-(3-methoxyphenyl)-2,3-dimethylhex-3-en-2-ol?
The IUPAC name of (Z)-4-(3-methoxyphenyl)-2,3-dimethylhex-3-en-2-ol (CID 89472521) is (Z)-4-(3-methoxyphenyl)-2,3-dimethylhex-3-en-2-ol.
What is the SMILES notation for (Z)-4-(3-methoxyphenyl)-2,3-dimethylhex-3-en-2-ol?
The canonical SMILES for (Z)-4-(3-methoxyphenyl)-2,3-dimethylhex-3-en-2-ol is CC/C(=C(\C)C(C)(C)O)c1cccc(OC)c1.
What is the InChIKey of (Z)-4-(3-methoxyphenyl)-2,3-dimethylhex-3-en-2-ol?
The InChIKey is OVHRTBYAMSLTEU-KAMYIIQDSA-N. The full InChI is InChI=1S/C15H22O2/c1-6-14(11(2)15(3,4)16)12-8-7-9-13(10-12)17-5/h7-10,16H,6H2,1-5H3/b14-11-.
What are the key properties of (Z)-4-(3-methoxyphenyl)-2,3-dimethylhex-3-en-2-ol?
(Z)-4-(3-methoxyphenyl)-2,3-dimethylhex-3-en-2-ol has a molecular weight of 234.34 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(3-methoxyphenyl)-2,3-dimethylhex-3-en-2-ol is sourced from PubChem (CID 89472521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).