(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-5-methoxyphenyl)prop-1-en-1-ol

C15H13BF2O3 — CID 71592750

IUPAC(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-5-methoxyphenyl)prop-1-en-1-ol
SMILESCOc1ccc(OB(F)F)c(/C(O)=C/C=C2C=CC=C2)c1
InChIInChI=1S/C15H13BF2O3/c1-20-12-7-9-15(21-16(17)18)13(10-12)14(19)8-6-11-4-2-3-5-11/h2-10,19H,1H3/b14-8-
InChIKeyXAJWALPMPYMQLF-ZSOIEALJSA-N
MW290.07 g/mol
LogP3.95
Rot. Bonds5

About (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-5-methoxyphenyl)prop-1-en-1-ol

(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-5-methoxyphenyl)prop-1-en-1-ol (PubChem CID 71592750) has the molecular formula C15H13BF2O3 and a molecular weight of 290.07 g/mol. Its IUPAC name is (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-5-methoxyphenyl)prop-1-en-1-ol.

Molecular Properties

Compound Name(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-5-methoxyphenyl)prop-1-en-1-ol
PubChem CID71592750
Molecular FormulaC15H13BF2O3
Molecular Weight290.07 g/mol
Exact Mass290.09
IUPAC Name(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-5-methoxyphenyl)prop-1-en-1-ol
SMILESCOc1ccc(OB(F)F)c(/C(O)=C/C=C2C=CC=C2)c1
InChIInChI=1S/C15H13BF2O3/c1-20-12-7-9-15(21-16(17)18)13(10-12)14(19)8-6-11-4-2-3-5-11/h2-10,19H,1H3/b14-8-
InChIKeyXAJWALPMPYMQLF-ZSOIEALJSA-N
XLogP3.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.07
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxynaphthalen-1-yl)prop-1-en-1-ol
CID 157450130
(Z)-1-(2-difluoroboranyloxy-5-methylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 99770832
2-[(Z)-but-2-en-2-yl]-1,4-dimethoxybenzene
CID 10035483
(Z)-1-(2-difluoroboranyloxy-4-methoxyphenyl)-3-(dimethylamino)-2-(4-methoxyphenyl)prop-2-en-1-one
CID 11793849
methyl (Z)-4-(2,5-dimethoxyphenyl)pent-3-enoate
CID 90051649
1,4-dimethoxy-2-[(E)-1-phenylprop-1-enyl]benzene
CID 102370228
ethane;(1E)-1-(4-methoxy-2-methylphenyl)buta-1,3-dien-1-ol
CID 142019265
1,4-dimethoxy-2-[(Z)-1-phenylprop-1-enyl]benzene
CID 102082357
(E)-4-(2,5-dimethoxyphenyl)hept-3-enoic acid
CID 83958691
2-[(E)-5-ethylhept-2-en-2-yl]-1,4-dimethoxybenzene
CID 143859267
(Z)-2-(2,5-dimethoxyphenyl)but-2-enenitrile
CID 82076703
2-bromo-1-(2,5-dimethoxyphenyl)-2,2-difluoroethanone
CID 146006289

Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-5-methoxyphenyl)prop-1-en-1-ol?
The IUPAC name of (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-5-methoxyphenyl)prop-1-en-1-ol (CID 71592750) is (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-5-methoxyphenyl)prop-1-en-1-ol.
What is the SMILES notation for (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-5-methoxyphenyl)prop-1-en-1-ol?
The canonical SMILES for (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-5-methoxyphenyl)prop-1-en-1-ol is COc1ccc(OB(F)F)c(/C(O)=C/C=C2C=CC=C2)c1.
What is the InChIKey of (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-5-methoxyphenyl)prop-1-en-1-ol?
The InChIKey is XAJWALPMPYMQLF-ZSOIEALJSA-N. The full InChI is InChI=1S/C15H13BF2O3/c1-20-12-7-9-15(21-16(17)18)13(10-12)14(19)8-6-11-4-2-3-5-11/h2-10,19H,1H3/b14-8-.
What are the key properties of (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-5-methoxyphenyl)prop-1-en-1-ol?
(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-5-methoxyphenyl)prop-1-en-1-ol has a molecular weight of 290.07 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-difluoroboranyloxy-5-methoxyphenyl)prop-1-en-1-ol is sourced from PubChem (CID 71592750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).