(Z)-7-methoxy-5-phenylhept-6-en-2-one

C14H18O2 — CID 100946073

IUPAC(Z)-7-methoxy-5-phenylhept-6-en-2-one
SMILESCO/C=C\C(CCC(C)=O)c1ccccc1
InChIInChI=1S/C14H18O2/c1-12(15)8-9-14(10-11-16-2)13-6-4-3-5-7-13/h3-7,10-11,14H,8-9H2,1-2H3/b11-10-
InChIKeyJYFYKBOYVSJATM-KHPPLWFESA-N
MW218.30 g/mol
LogP3.30
Rot. Bonds6

About (Z)-7-methoxy-5-phenylhept-6-en-2-one

(Z)-7-methoxy-5-phenylhept-6-en-2-one (PubChem CID 100946073) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (Z)-7-methoxy-5-phenylhept-6-en-2-one.

Molecular Properties

Compound Name(Z)-7-methoxy-5-phenylhept-6-en-2-one
PubChem CID100946073
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(Z)-7-methoxy-5-phenylhept-6-en-2-one
SMILESCO/C=C\C(CCC(C)=O)c1ccccc1
InChIInChI=1S/C14H18O2/c1-12(15)8-9-14(10-11-16-2)13-6-4-3-5-7-13/h3-7,10-11,14H,8-9H2,1-2H3/b11-10-
InChIKeyJYFYKBOYVSJATM-KHPPLWFESA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-benzyl-N-[(E)-7-methoxy-5-phenylhept-6-en-2-yl]carbamate
CID 70968699
5-bromo-5-phenylpentan-2-one
CID 70081529
ethyl 5-oxo-2-phenylhexanoate
CID 15445591
[(Z)-4-methoxybut-3-en-2-yl]benzene
CID 10558945
5,6-diphenylhexan-2-one
CID 134938963
methyl (E)-5-hydroxy-4-phenylpent-2-enoate
CID 11041917
[(Z)-2-phenylpent-3-enyl] acetate
CID 10512396
5-methyl-2,6-diphenylhex-5-enal
CID 173438897
4-(4-oxo-1-phenylpentyl)benzonitrile
CID 162418446
(E)-1,4-diphenylhept-2-ene-1,6-dione
CID 12655089
4-phenylhex-5-enoate
CID 140706037
ethyl (E)-6-bromo-4-phenylhex-2-enoate
CID 102293722

Frequently Asked Questions

What is the IUPAC name of (Z)-7-methoxy-5-phenylhept-6-en-2-one?
The IUPAC name of (Z)-7-methoxy-5-phenylhept-6-en-2-one (CID 100946073) is (Z)-7-methoxy-5-phenylhept-6-en-2-one.
What is the SMILES notation for (Z)-7-methoxy-5-phenylhept-6-en-2-one?
The canonical SMILES for (Z)-7-methoxy-5-phenylhept-6-en-2-one is CO/C=C\C(CCC(C)=O)c1ccccc1.
What is the InChIKey of (Z)-7-methoxy-5-phenylhept-6-en-2-one?
The InChIKey is JYFYKBOYVSJATM-KHPPLWFESA-N. The full InChI is InChI=1S/C14H18O2/c1-12(15)8-9-14(10-11-16-2)13-6-4-3-5-7-13/h3-7,10-11,14H,8-9H2,1-2H3/b11-10-.
What are the key properties of (Z)-7-methoxy-5-phenylhept-6-en-2-one?
(Z)-7-methoxy-5-phenylhept-6-en-2-one has a molecular weight of 218.30 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-methoxy-5-phenylhept-6-en-2-one is sourced from PubChem (CID 100946073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).