[4-[(Z)-1-[[(3Z,5Z)-4-methylhepta-3,5-dien-2-ylidene]amino]prop-1-enyl]phenyl]methanol

C18H23NO — CID 126635020

IUPAC[4-[(Z)-1-[[(3Z,5Z)-4-methylhepta-3,5-dien-2-ylidene]amino]prop-1-enyl]phenyl]methanol
SMILESC/C=C\C(C)=C/C(C)=N/C(=C\C)c1ccc(CO)cc1
InChIInChI=1S/C18H23NO/c1-5-7-14(3)12-15(4)19-18(6-2)17-10-8-16(13-20)9-11-17/h5-12,20H,13H2,1-4H3/b7-5-,14-12-,18-6-,19-15+
InChIKeyQKFVKAGZJUAANW-HUUQRBKNSA-N
MW269.39 g/mol
LogP4.52
Rot. Bonds5

About [4-[(Z)-1-[[(3Z,5Z)-4-methylhepta-3,5-dien-2-ylidene]amino]prop-1-enyl]phenyl]methanol

[4-[(Z)-1-[[(3Z,5Z)-4-methylhepta-3,5-dien-2-ylidene]amino]prop-1-enyl]phenyl]methanol (PubChem CID 126635020) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is [4-[(Z)-1-[[(3Z,5Z)-4-methylhepta-3,5-dien-2-ylidene]amino]prop-1-enyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(Z)-1-[[(3Z,5Z)-4-methylhepta-3,5-dien-2-ylidene]amino]prop-1-enyl]phenyl]methanol
PubChem CID126635020
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name[4-[(Z)-1-[[(3Z,5Z)-4-methylhepta-3,5-dien-2-ylidene]amino]prop-1-enyl]phenyl]methanol
SMILESC/C=C\C(C)=C/C(C)=N/C(=C\C)c1ccc(CO)cc1
InChIInChI=1S/C18H23NO/c1-5-7-14(3)12-15(4)19-18(6-2)17-10-8-16(13-20)9-11-17/h5-12,20H,13H2,1-4H3/b7-5-,14-12-,18-6-,19-15+
InChIKeyQKFVKAGZJUAANW-HUUQRBKNSA-N
XLogP4.52
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [4-[(Z)-1-[[(3Z,5Z)-4-methylhepta-3,5-dien-2-ylidene]amino]prop-1-enyl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-1-[[(3Z,5Z)-4-methylhepta-3,5-dien-2-ylidene]amino]prop-1-enyl]phenyl]methanol?
The IUPAC name of [4-[(Z)-1-[[(3Z,5Z)-4-methylhepta-3,5-dien-2-ylidene]amino]prop-1-enyl]phenyl]methanol (CID 126635020) is [4-[(Z)-1-[[(3Z,5Z)-4-methylhepta-3,5-dien-2-ylidene]amino]prop-1-enyl]phenyl]methanol.
What is the SMILES notation for [4-[(Z)-1-[[(3Z,5Z)-4-methylhepta-3,5-dien-2-ylidene]amino]prop-1-enyl]phenyl]methanol?
The canonical SMILES for [4-[(Z)-1-[[(3Z,5Z)-4-methylhepta-3,5-dien-2-ylidene]amino]prop-1-enyl]phenyl]methanol is C/C=C\C(C)=C/C(C)=N/C(=C\C)c1ccc(CO)cc1.
What is the InChIKey of [4-[(Z)-1-[[(3Z,5Z)-4-methylhepta-3,5-dien-2-ylidene]amino]prop-1-enyl]phenyl]methanol?
The InChIKey is QKFVKAGZJUAANW-HUUQRBKNSA-N. The full InChI is InChI=1S/C18H23NO/c1-5-7-14(3)12-15(4)19-18(6-2)17-10-8-16(13-20)9-11-17/h5-12,20H,13H2,1-4H3/b7-5-,14-12-,18-6-,19-15+.
What are the key properties of [4-[(Z)-1-[[(3Z,5Z)-4-methylhepta-3,5-dien-2-ylidene]amino]prop-1-enyl]phenyl]methanol?
[4-[(Z)-1-[[(3Z,5Z)-4-methylhepta-3,5-dien-2-ylidene]amino]prop-1-enyl]phenyl]methanol has a molecular weight of 269.39 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-1-[[(3Z,5Z)-4-methylhepta-3,5-dien-2-ylidene]amino]prop-1-enyl]phenyl]methanol is sourced from PubChem (CID 126635020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).