7-[(4-bromophenyl)methoxy]-2,2,8-trimethylchromene

C19H19BrO2 — CID 4247855

IUPAC7-[(4-bromophenyl)methoxy]-2,2,8-trimethylchromene
SMILESCc1c(OCc2ccc(Br)cc2)ccc2c1OC(C)(C)C=C2
InChIInChI=1S/C19H19BrO2/c1-13-17(21-12-14-4-7-16(20)8-5-14)9-6-15-10-11-19(2,3)22-18(13)15/h4-11H,12H2,1-3H3
InChIKeyNSQHHDQDUWOFOB-UHFFFAOYSA-N
MW359.26 g/mol
LogP5.52
Rot. Bonds3

About 7-[(4-bromophenyl)methoxy]-2,2,8-trimethylchromene

7-[(4-bromophenyl)methoxy]-2,2,8-trimethylchromene (PubChem CID 4247855) has the molecular formula C19H19BrO2 and a molecular weight of 359.26 g/mol. Its IUPAC name is 7-[(4-bromophenyl)methoxy]-2,2,8-trimethylchromene.

Molecular Properties

Compound Name7-[(4-bromophenyl)methoxy]-2,2,8-trimethylchromene
PubChem CID4247855
Molecular FormulaC19H19BrO2
Molecular Weight359.26 g/mol
Exact Mass358.06
IUPAC Name7-[(4-bromophenyl)methoxy]-2,2,8-trimethylchromene
SMILESCc1c(OCc2ccc(Br)cc2)ccc2c1OC(C)(C)C=C2
InChIInChI=1S/C19H19BrO2/c1-13-17(21-12-14-4-7-16(20)8-5-14)9-6-15-10-11-19(2,3)22-18(13)15/h4-11H,12H2,1-3H3
InChIKeyNSQHHDQDUWOFOB-UHFFFAOYSA-N
XLogP5.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.26
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-bromophenyl)methoxy]-2,2,8-trimethylchromene?
The IUPAC name of 7-[(4-bromophenyl)methoxy]-2,2,8-trimethylchromene (CID 4247855) is 7-[(4-bromophenyl)methoxy]-2,2,8-trimethylchromene.
What is the SMILES notation for 7-[(4-bromophenyl)methoxy]-2,2,8-trimethylchromene?
The canonical SMILES for 7-[(4-bromophenyl)methoxy]-2,2,8-trimethylchromene is Cc1c(OCc2ccc(Br)cc2)ccc2c1OC(C)(C)C=C2.
What is the InChIKey of 7-[(4-bromophenyl)methoxy]-2,2,8-trimethylchromene?
The InChIKey is NSQHHDQDUWOFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrO2/c1-13-17(21-12-14-4-7-16(20)8-5-14)9-6-15-10-11-19(2,3)22-18(13)15/h4-11H,12H2,1-3H3.
What are the key properties of 7-[(4-bromophenyl)methoxy]-2,2,8-trimethylchromene?
7-[(4-bromophenyl)methoxy]-2,2,8-trimethylchromene has a molecular weight of 359.26 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-bromophenyl)methoxy]-2,2,8-trimethylchromene is sourced from PubChem (CID 4247855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).