(Z)-2-methoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol

C14H20O2 — CID 15207026

IUPAC(Z)-2-methoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol
SMILESCO/C(=C\c1ccccc1)C(O)C(C)(C)C
InChIInChI=1S/C14H20O2/c1-14(2,3)13(15)12(16-4)10-11-8-6-5-7-9-11/h5-10,13,15H,1-4H3/b12-10-
InChIKeyQLLCGLKSVBOFHC-BENRWUELSA-N
MW220.31 g/mol
LogP3.08
Rot. Bonds3

About (Z)-2-methoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol

(Z)-2-methoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol (PubChem CID 15207026) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (Z)-2-methoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol.

Molecular Properties

Compound Name(Z)-2-methoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol
PubChem CID15207026
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(Z)-2-methoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol
SMILESCO/C(=C\c1ccccc1)C(O)C(C)(C)C
InChIInChI=1S/C14H20O2/c1-14(2,3)13(15)12(16-4)10-11-8-6-5-7-9-11/h5-10,13,15H,1-4H3/b12-10-
InChIKeyQLLCGLKSVBOFHC-BENRWUELSA-N
XLogP3.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.08
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

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(E)-2-methyl-1-phenylpent-1-en-3-ol
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(E)-2,4-dimethyl-1-phenylpent-1-en-3-ol
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(4E,6E)-2-methyl-7-phenylhepta-1,4,6-trien-3-ol
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4-Phenylbut-3-ene-1,2-diol
CID 5358441
1-Penten-3-ol, 1-phenyl-
CID 5371967
(E,3S)-1-phenylpent-1-en-3-ol
CID 10654561
(1E)-1-phenyloct-1-en-3-ol
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CID 10931758

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol?
The IUPAC name of (Z)-2-methoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol (CID 15207026) is (Z)-2-methoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol.
What is the SMILES notation for (Z)-2-methoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol?
The canonical SMILES for (Z)-2-methoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol is CO/C(=C\c1ccccc1)C(O)C(C)(C)C.
What is the InChIKey of (Z)-2-methoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol?
The InChIKey is QLLCGLKSVBOFHC-BENRWUELSA-N. The full InChI is InChI=1S/C14H20O2/c1-14(2,3)13(15)12(16-4)10-11-8-6-5-7-9-11/h5-10,13,15H,1-4H3/b12-10-.
What are the key properties of (Z)-2-methoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol?
(Z)-2-methoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol has a molecular weight of 220.31 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methoxy-4,4-dimethyl-1-phenylpent-1-en-3-ol is sourced from PubChem (CID 15207026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).