(2Z,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-phenyl-3-prop-1-en-2-ylocta-2,7-diene-1,4-diol

C22H26O4 — CID 23862005

IUPAC(2Z,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-phenyl-3-prop-1-en-2-ylocta-2,7-diene-1,4-diol
SMILESC=C(C)/C(=C/CO)C(O)CC/C(=C/c1ccc(CO)o1)c1ccccc1
InChIInChI=1S/C22H26O4/c1-16(2)21(12-13-23)22(25)11-8-18(17-6-4-3-5-7-17)14-19-9-10-20(15-24)26-19/h3-7,9-10,12,14,22-25H,1,8,11,13,15H2,2H3/b18-14-,21-12-
InChIKeyDBMKNTQSBWTGIC-NGIIAYEMSA-N
MW354.45 g/mol
LogP3.95
Rot. Bonds9

About (2Z,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-phenyl-3-prop-1-en-2-ylocta-2,7-diene-1,4-diol

(2Z,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-phenyl-3-prop-1-en-2-ylocta-2,7-diene-1,4-diol (PubChem CID 23862005) has the molecular formula C22H26O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is (2Z,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-phenyl-3-prop-1-en-2-ylocta-2,7-diene-1,4-diol.

Molecular Properties

Compound Name(2Z,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-phenyl-3-prop-1-en-2-ylocta-2,7-diene-1,4-diol
PubChem CID23862005
Molecular FormulaC22H26O4
Molecular Weight354.45 g/mol
Exact Mass354.18
IUPAC Name(2Z,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-phenyl-3-prop-1-en-2-ylocta-2,7-diene-1,4-diol
SMILESC=C(C)/C(=C/CO)C(O)CC/C(=C/c1ccc(CO)o1)c1ccccc1
InChIInChI=1S/C22H26O4/c1-16(2)21(12-13-23)22(25)11-8-18(17-6-4-3-5-7-17)14-19-9-10-20(15-24)26-19/h3-7,9-10,12,14,22-25H,1,8,11,13,15H2,2H3/b18-14-,21-12-
InChIKeyDBMKNTQSBWTGIC-NGIIAYEMSA-N
XLogP3.95
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-phenyl-3-prop-1-en-2-ylocta-2,7-diene-1,4-diol?
The IUPAC name of (2Z,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-phenyl-3-prop-1-en-2-ylocta-2,7-diene-1,4-diol (CID 23862005) is (2Z,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-phenyl-3-prop-1-en-2-ylocta-2,7-diene-1,4-diol.
What is the SMILES notation for (2Z,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-phenyl-3-prop-1-en-2-ylocta-2,7-diene-1,4-diol?
The canonical SMILES for (2Z,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-phenyl-3-prop-1-en-2-ylocta-2,7-diene-1,4-diol is C=C(C)/C(=C/CO)C(O)CC/C(=C/c1ccc(CO)o1)c1ccccc1.
What is the InChIKey of (2Z,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-phenyl-3-prop-1-en-2-ylocta-2,7-diene-1,4-diol?
The InChIKey is DBMKNTQSBWTGIC-NGIIAYEMSA-N. The full InChI is InChI=1S/C22H26O4/c1-16(2)21(12-13-23)22(25)11-8-18(17-6-4-3-5-7-17)14-19-9-10-20(15-24)26-19/h3-7,9-10,12,14,22-25H,1,8,11,13,15H2,2H3/b18-14-,21-12-.
What are the key properties of (2Z,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-phenyl-3-prop-1-en-2-ylocta-2,7-diene-1,4-diol?
(2Z,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-phenyl-3-prop-1-en-2-ylocta-2,7-diene-1,4-diol has a molecular weight of 354.45 g/mol, XLogP of 3.95, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,7Z)-8-[5-(hydroxymethyl)furan-2-yl]-7-phenyl-3-prop-1-en-2-ylocta-2,7-diene-1,4-diol is sourced from PubChem (CID 23862005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).