1-(3,4-dimethoxyphenyl)-3-phenyl-1H-benzo[f]chromene

C27H22O3 — CID 142767664

IUPAC1-(3,4-dimethoxyphenyl)-3-phenyl-1H-benzo[f]chromene
SMILESCOc1ccc(C2C=C(c3ccccc3)Oc3ccc4ccccc4c32)cc1OC
InChIInChI=1S/C27H22O3/c1-28-23-14-13-20(16-26(23)29-2)22-17-25(19-9-4-3-5-10-19)30-24-15-12-18-8-6-7-11-21(18)27(22)24/h3-17,22H,1-2H3
InChIKeyVBWSAVDYCUYFRM-UHFFFAOYSA-N
MW394.47 g/mol
LogP6.42
Rot. Bonds4

About 1-(3,4-dimethoxyphenyl)-3-phenyl-1H-benzo[f]chromene

1-(3,4-dimethoxyphenyl)-3-phenyl-1H-benzo[f]chromene (PubChem CID 142767664) has the molecular formula C27H22O3 and a molecular weight of 394.47 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-phenyl-1H-benzo[f]chromene.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-phenyl-1H-benzo[f]chromene
PubChem CID142767664
Molecular FormulaC27H22O3
Molecular Weight394.47 g/mol
Exact Mass394.16
IUPAC Name1-(3,4-dimethoxyphenyl)-3-phenyl-1H-benzo[f]chromene
SMILESCOc1ccc(C2C=C(c3ccccc3)Oc3ccc4ccccc4c32)cc1OC
InChIInChI=1S/C27H22O3/c1-28-23-14-13-20(16-26(23)29-2)22-17-25(19-9-4-3-5-10-19)30-24-15-12-18-8-6-7-11-21(18)27(22)24/h3-17,22H,1-2H3
InChIKeyVBWSAVDYCUYFRM-UHFFFAOYSA-N
XLogP6.42
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.47
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-phenyl-1H-benzo[f]chromene?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-phenyl-1H-benzo[f]chromene (CID 142767664) is 1-(3,4-dimethoxyphenyl)-3-phenyl-1H-benzo[f]chromene.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-phenyl-1H-benzo[f]chromene?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-phenyl-1H-benzo[f]chromene is COc1ccc(C2C=C(c3ccccc3)Oc3ccc4ccccc4c32)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-phenyl-1H-benzo[f]chromene?
The InChIKey is VBWSAVDYCUYFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O3/c1-28-23-14-13-20(16-26(23)29-2)22-17-25(19-9-4-3-5-10-19)30-24-15-12-18-8-6-7-11-21(18)27(22)24/h3-17,22H,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-phenyl-1H-benzo[f]chromene?
1-(3,4-dimethoxyphenyl)-3-phenyl-1H-benzo[f]chromene has a molecular weight of 394.47 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-phenyl-1H-benzo[f]chromene is sourced from PubChem (CID 142767664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).