acetic acid;[(3Z)-2-ethyl-7-methoxy-3-[(2-phenylphenyl)methylidene]inden-1-yl]methanol

C28H28O4 — CID 142003075

IUPACacetic acid;[(3Z)-2-ethyl-7-methoxy-3-[(2-phenylphenyl)methylidene]inden-1-yl]methanol
SMILESCC(=O)O.CCC1=C(CO)c2c(OC)cccc2/C1=C\c1ccccc1-c1ccccc1
InChIInChI=1S/C26H24O2.C2H4O2/c1-3-20-23(22-14-9-15-25(28-2)26(22)24(20)17-27)16-19-12-7-8-13-21(19)18-10-5-4-6-11-18;1-2(3)4/h4-16,27H,3,17H2,1-2H3;1H3,(H,3,4)/b23-16-;
InChIKeyCELXIVKFCDXIPV-YGCQTIHHSA-N
MW428.53 g/mol
LogP6.16
Rot. Bonds5

About acetic acid;[(3Z)-2-ethyl-7-methoxy-3-[(2-phenylphenyl)methylidene]inden-1-yl]methanol

acetic acid;[(3Z)-2-ethyl-7-methoxy-3-[(2-phenylphenyl)methylidene]inden-1-yl]methanol (PubChem CID 142003075) has the molecular formula C28H28O4 and a molecular weight of 428.53 g/mol. Its IUPAC name is acetic acid;[(3Z)-2-ethyl-7-methoxy-3-[(2-phenylphenyl)methylidene]inden-1-yl]methanol.

Molecular Properties

Compound Nameacetic acid;[(3Z)-2-ethyl-7-methoxy-3-[(2-phenylphenyl)methylidene]inden-1-yl]methanol
PubChem CID142003075
Molecular FormulaC28H28O4
Molecular Weight428.53 g/mol
Exact Mass428.20
IUPAC Nameacetic acid;[(3Z)-2-ethyl-7-methoxy-3-[(2-phenylphenyl)methylidene]inden-1-yl]methanol
SMILESCC(=O)O.CCC1=C(CO)c2c(OC)cccc2/C1=C\c1ccccc1-c1ccccc1
InChIInChI=1S/C26H24O2.C2H4O2/c1-3-20-23(22-14-9-15-25(28-2)26(22)24(20)17-27)16-19-12-7-8-13-21(19)18-10-5-4-6-11-18;1-2(3)4/h4-16,27H,3,17H2,1-2H3;1H3,(H,3,4)/b23-16-;
InChIKeyCELXIVKFCDXIPV-YGCQTIHHSA-N
XLogP6.16
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.53
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze acetic acid;[(3Z)-2-ethyl-7-methoxy-3-[(2-phenylphenyl)methylidene]inden-1-yl]methanol with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde
CID 134898371
methyl 2-[(1Z)-3-(aminoperoxymethyl)-1-benzylidene-2-ethylinden-4-yl]oxyacetate
CID 142075358
3-(2-methoxyphenyl)benzoic acid
CID 2759547
1-[3-methoxy-2-(2-methoxyphenyl)phenyl]propan-2-one
CID 56654613
(E)-3-[4-(2-methoxyphenyl)phenyl]but-2-enoic acid
CID 82092538
(2E)-2-(2-ethyl-5-methoxyfluoren-9-ylidene)acetic acid
CID 82578804
2-(3-methoxy-2-phenylphenoxy)ethanol
CID 91364527
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
3-methoxy-2-[2-(2-phenylphenoxy)ethoxy]benzoic acid
CID 22687712
methyl (E)-3-[3-(2-methoxyphenyl)phenyl]but-2-enoate
CID 82543553
(E)-3-(2-methoxy-3-phenylphenyl)prop-2-enoic acid
CID 170872372
(E)-3-[2-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoic acid
CID 153427172

Frequently Asked Questions

What is the IUPAC name of acetic acid;[(3Z)-2-ethyl-7-methoxy-3-[(2-phenylphenyl)methylidene]inden-1-yl]methanol?
The IUPAC name of acetic acid;[(3Z)-2-ethyl-7-methoxy-3-[(2-phenylphenyl)methylidene]inden-1-yl]methanol (CID 142003075) is acetic acid;[(3Z)-2-ethyl-7-methoxy-3-[(2-phenylphenyl)methylidene]inden-1-yl]methanol.
What is the SMILES notation for acetic acid;[(3Z)-2-ethyl-7-methoxy-3-[(2-phenylphenyl)methylidene]inden-1-yl]methanol?
The canonical SMILES for acetic acid;[(3Z)-2-ethyl-7-methoxy-3-[(2-phenylphenyl)methylidene]inden-1-yl]methanol is CC(=O)O.CCC1=C(CO)c2c(OC)cccc2/C1=C\c1ccccc1-c1ccccc1.
What is the InChIKey of acetic acid;[(3Z)-2-ethyl-7-methoxy-3-[(2-phenylphenyl)methylidene]inden-1-yl]methanol?
The InChIKey is CELXIVKFCDXIPV-YGCQTIHHSA-N. The full InChI is InChI=1S/C26H24O2.C2H4O2/c1-3-20-23(22-14-9-15-25(28-2)26(22)24(20)17-27)16-19-12-7-8-13-21(19)18-10-5-4-6-11-18;1-2(3)4/h4-16,27H,3,17H2,1-2H3;1H3,(H,3,4)/b23-16-;.
What are the key properties of acetic acid;[(3Z)-2-ethyl-7-methoxy-3-[(2-phenylphenyl)methylidene]inden-1-yl]methanol?
acetic acid;[(3Z)-2-ethyl-7-methoxy-3-[(2-phenylphenyl)methylidene]inden-1-yl]methanol has a molecular weight of 428.53 g/mol, XLogP of 6.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;[(3Z)-2-ethyl-7-methoxy-3-[(2-phenylphenyl)methylidene]inden-1-yl]methanol is sourced from PubChem (CID 142003075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).