(Z)-1-naphthalen-2-yl-1-(2,3,4-trimethoxyphenyl)prop-1-en-2-ol

C22H22O4 — CID 44580363

IUPAC(Z)-1-naphthalen-2-yl-1-(2,3,4-trimethoxyphenyl)prop-1-en-2-ol
SMILESCOc1ccc(/C(=C(/C)O)c2ccc3ccccc3c2)c(OC)c1OC
InChIInChI=1S/C22H22O4/c1-14(23)20(17-10-9-15-7-5-6-8-16(15)13-17)18-11-12-19(24-2)22(26-4)21(18)25-3/h5-13,23H,1-4H3/b20-14-
InChIKeyJTYMXQSQVUJQDK-ZHZULCJRSA-N
MW350.41 g/mol
LogP5.20
Rot. Bonds5

About (Z)-1-naphthalen-2-yl-1-(2,3,4-trimethoxyphenyl)prop-1-en-2-ol

(Z)-1-naphthalen-2-yl-1-(2,3,4-trimethoxyphenyl)prop-1-en-2-ol (PubChem CID 44580363) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is (Z)-1-naphthalen-2-yl-1-(2,3,4-trimethoxyphenyl)prop-1-en-2-ol.

Molecular Properties

Compound Name(Z)-1-naphthalen-2-yl-1-(2,3,4-trimethoxyphenyl)prop-1-en-2-ol
PubChem CID44580363
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name(Z)-1-naphthalen-2-yl-1-(2,3,4-trimethoxyphenyl)prop-1-en-2-ol
SMILESCOc1ccc(/C(=C(/C)O)c2ccc3ccccc3c2)c(OC)c1OC
InChIInChI=1S/C22H22O4/c1-14(23)20(17-10-9-15-7-5-6-8-16(15)13-17)18-11-12-19(24-2)22(26-4)21(18)25-3/h5-13,23H,1-4H3/b20-14-
InChIKeyJTYMXQSQVUJQDK-ZHZULCJRSA-N
XLogP5.20
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.41
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-naphthalen-2-yl-1-(2,3,4-trimethoxyphenyl)prop-1-en-2-ol?
The IUPAC name of (Z)-1-naphthalen-2-yl-1-(2,3,4-trimethoxyphenyl)prop-1-en-2-ol (CID 44580363) is (Z)-1-naphthalen-2-yl-1-(2,3,4-trimethoxyphenyl)prop-1-en-2-ol.
What is the SMILES notation for (Z)-1-naphthalen-2-yl-1-(2,3,4-trimethoxyphenyl)prop-1-en-2-ol?
The canonical SMILES for (Z)-1-naphthalen-2-yl-1-(2,3,4-trimethoxyphenyl)prop-1-en-2-ol is COc1ccc(/C(=C(/C)O)c2ccc3ccccc3c2)c(OC)c1OC.
What is the InChIKey of (Z)-1-naphthalen-2-yl-1-(2,3,4-trimethoxyphenyl)prop-1-en-2-ol?
The InChIKey is JTYMXQSQVUJQDK-ZHZULCJRSA-N. The full InChI is InChI=1S/C22H22O4/c1-14(23)20(17-10-9-15-7-5-6-8-16(15)13-17)18-11-12-19(24-2)22(26-4)21(18)25-3/h5-13,23H,1-4H3/b20-14-.
What are the key properties of (Z)-1-naphthalen-2-yl-1-(2,3,4-trimethoxyphenyl)prop-1-en-2-ol?
(Z)-1-naphthalen-2-yl-1-(2,3,4-trimethoxyphenyl)prop-1-en-2-ol has a molecular weight of 350.41 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-naphthalen-2-yl-1-(2,3,4-trimethoxyphenyl)prop-1-en-2-ol is sourced from PubChem (CID 44580363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).