4-(6-bromo-2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol

C16H15BrO2 — CID 16751285

IUPAC4-(6-bromo-2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol
SMILESCC1CC(c2ccc(O)cc2)c2cc(Br)ccc2O1
InChIInChI=1S/C16H15BrO2/c1-10-8-14(11-2-5-13(18)6-3-11)15-9-12(17)4-7-16(15)19-10/h2-7,9-10,14,18H,8H2,1H3
InChIKeyCHJXQWPZINSJHI-UHFFFAOYSA-N
MW319.20 g/mol
LogP4.46
Rot. Bonds1

About 4-(6-bromo-2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol

4-(6-bromo-2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol (PubChem CID 16751285) has the molecular formula C16H15BrO2 and a molecular weight of 319.20 g/mol. Its IUPAC name is 4-(6-bromo-2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol.

Molecular Properties

Compound Name4-(6-bromo-2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol
PubChem CID16751285
Molecular FormulaC16H15BrO2
Molecular Weight319.20 g/mol
Exact Mass318.03
IUPAC Name4-(6-bromo-2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol
SMILESCC1CC(c2ccc(O)cc2)c2cc(Br)ccc2O1
InChIInChI=1S/C16H15BrO2/c1-10-8-14(11-2-5-13(18)6-3-11)15-9-12(17)4-7-16(15)19-10/h2-7,9-10,14,18H,8H2,1H3
InChIKeyCHJXQWPZINSJHI-UHFFFAOYSA-N
XLogP4.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-6-bromo-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951295
(4R)-7-bromo-2-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104949397
2-methoxy-4-(2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol
CID 134866971
6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114715661
(2S,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 129381669
(2R,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 129381670
6-bromo-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715676
(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 93279299
5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 13301601
5-bromo-3-(4-propan-2-ylphenyl)-2,3-dihydro-1-benzofuran
CID 23114097
(4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947173
(4S)-6-bromo-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951096

Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol?
The IUPAC name of 4-(6-bromo-2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol (CID 16751285) is 4-(6-bromo-2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol.
What is the SMILES notation for 4-(6-bromo-2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol?
The canonical SMILES for 4-(6-bromo-2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol is CC1CC(c2ccc(O)cc2)c2cc(Br)ccc2O1.
What is the InChIKey of 4-(6-bromo-2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol?
The InChIKey is CHJXQWPZINSJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO2/c1-10-8-14(11-2-5-13(18)6-3-11)15-9-12(17)4-7-16(15)19-10/h2-7,9-10,14,18H,8H2,1H3.
What are the key properties of 4-(6-bromo-2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol?
4-(6-bromo-2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol has a molecular weight of 319.20 g/mol, XLogP of 4.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-2-methyl-3,4-dihydro-2H-chromen-4-yl)phenol is sourced from PubChem (CID 16751285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).