(E)-2,2-diphenylhept-4-en-1-ol

C19H22O — CID 177416066

IUPAC(E)-2,2-diphenylhept-4-en-1-ol
SMILESCC/C=C/CC(CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22O/c1-2-3-10-15-19(16-20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h3-14,20H,2,15-16H2,1H3/b10-3+
InChIKeyDMPPNJGZILPJAI-XCVCLJGOSA-N
MW266.38 g/mol
LogP4.32
Rot. Bonds6

About (E)-2,2-diphenylhept-4-en-1-ol

(E)-2,2-diphenylhept-4-en-1-ol (PubChem CID 177416066) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is (E)-2,2-diphenylhept-4-en-1-ol.

Molecular Properties

Compound Name(E)-2,2-diphenylhept-4-en-1-ol
PubChem CID177416066
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name(E)-2,2-diphenylhept-4-en-1-ol
SMILESCC/C=C/CC(CO)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22O/c1-2-3-10-15-19(16-20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h3-14,20H,2,15-16H2,1H3/b10-3+
InChIKeyDMPPNJGZILPJAI-XCVCLJGOSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4E,6E)-2,2,7-triphenylhepta-4,6-dien-1-ol
CID 102486729
2,2-diphenylpentane-1,4-diol
CID 135025733
5-(dimethylamino)-1,1-diphenylpent-3-en-1-ol;hydrochloride
CID 171145453
propan-2-yl (E)-6-hydroxy-6,6-diphenylhex-3-enedithioate
CID 5369781
2-(methylaminomethyl)-2-phenylbutan-1-ol
CID 13463568
(3E,5Z,7Z)-1,1-diphenylnona-3,5,7-trien-1-ol
CID 145321290
anthracene;(E)-hex-3-ene;propane
CID 144562643
1,2-bis(but-1-enyl)benzene
CID 140975855
2-chloro-2-phenylpropan-1-ol
CID 21408065
(2E,4E)-1-(4-tert-butylphenyl)-2-ethyl-1-phenylhepta-2,4-dien-1-ol
CID 176836101
2-amino-2-phenylpentan-1-ol
CID 61056433
2-(dimethylamino)-2-phenylbutan-1-ol
CID 3016037

Frequently Asked Questions

What is the IUPAC name of (E)-2,2-diphenylhept-4-en-1-ol?
The IUPAC name of (E)-2,2-diphenylhept-4-en-1-ol (CID 177416066) is (E)-2,2-diphenylhept-4-en-1-ol.
What is the SMILES notation for (E)-2,2-diphenylhept-4-en-1-ol?
The canonical SMILES for (E)-2,2-diphenylhept-4-en-1-ol is CC/C=C/CC(CO)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-2,2-diphenylhept-4-en-1-ol?
The InChIKey is DMPPNJGZILPJAI-XCVCLJGOSA-N. The full InChI is InChI=1S/C19H22O/c1-2-3-10-15-19(16-20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h3-14,20H,2,15-16H2,1H3/b10-3+.
What are the key properties of (E)-2,2-diphenylhept-4-en-1-ol?
(E)-2,2-diphenylhept-4-en-1-ol has a molecular weight of 266.38 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-diphenylhept-4-en-1-ol is sourced from PubChem (CID 177416066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).