(Z)-2-methyl-7-phenylhept-4-en-3-one

C14H18O — CID 101116591

IUPAC(Z)-2-methyl-7-phenylhept-4-en-3-one
SMILESCC(C)C(=O)/C=C\CCc1ccccc1
InChIInChI=1S/C14H18O/c1-12(2)14(15)11-7-6-10-13-8-4-3-5-9-13/h3-5,7-9,11-12H,6,10H2,1-2H3/b11-7-
InChIKeyWOSMRFHDQFWWQN-XFFZJAGNSA-N
MW202.30 g/mol
LogP3.40
Rot. Bonds5

About (Z)-2-methyl-7-phenylhept-4-en-3-one

(Z)-2-methyl-7-phenylhept-4-en-3-one (PubChem CID 101116591) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is (Z)-2-methyl-7-phenylhept-4-en-3-one.

Molecular Properties

Compound Name(Z)-2-methyl-7-phenylhept-4-en-3-one
PubChem CID101116591
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name(Z)-2-methyl-7-phenylhept-4-en-3-one
SMILESCC(C)C(=O)/C=C\CCc1ccccc1
InChIInChI=1S/C14H18O/c1-12(2)14(15)11-7-6-10-13-8-4-3-5-9-13/h3-5,7-9,11-12H,6,10H2,1-2H3/b11-7-
InChIKeyWOSMRFHDQFWWQN-XFFZJAGNSA-N
XLogP3.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-7-phenylhept-4-en-3-one?
The IUPAC name of (Z)-2-methyl-7-phenylhept-4-en-3-one (CID 101116591) is (Z)-2-methyl-7-phenylhept-4-en-3-one.
What is the SMILES notation for (Z)-2-methyl-7-phenylhept-4-en-3-one?
The canonical SMILES for (Z)-2-methyl-7-phenylhept-4-en-3-one is CC(C)C(=O)/C=C\CCc1ccccc1.
What is the InChIKey of (Z)-2-methyl-7-phenylhept-4-en-3-one?
The InChIKey is WOSMRFHDQFWWQN-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H18O/c1-12(2)14(15)11-7-6-10-13-8-4-3-5-9-13/h3-5,7-9,11-12H,6,10H2,1-2H3/b11-7-.
What are the key properties of (Z)-2-methyl-7-phenylhept-4-en-3-one?
(Z)-2-methyl-7-phenylhept-4-en-3-one has a molecular weight of 202.30 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-7-phenylhept-4-en-3-one is sourced from PubChem (CID 101116591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).