(4-bromo-3,5-dimethylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol

C18H19BrO2 — CID 114744817

IUPAC(4-bromo-3,5-dimethylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
SMILESCc1cc(C(O)c2cccc3c2OCCC3)cc(C)c1Br
InChIInChI=1S/C18H19BrO2/c1-11-9-14(10-12(2)16(11)19)17(20)15-7-3-5-13-6-4-8-21-18(13)15/h3,5,7,9-10,17,20H,4,6,8H2,1-2H3
InChIKeyJPTHTTRGMUPQTJ-UHFFFAOYSA-N
MW347.25 g/mol
LogP4.47
Rot. Bonds2

About (4-bromo-3,5-dimethylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol

(4-bromo-3,5-dimethylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol (PubChem CID 114744817) has the molecular formula C18H19BrO2 and a molecular weight of 347.25 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
PubChem CID114744817
Molecular FormulaC18H19BrO2
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name(4-bromo-3,5-dimethylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
SMILESCc1cc(C(O)c2cccc3c2OCCC3)cc(C)c1Br
InChIInChI=1S/C18H19BrO2/c1-11-9-14(10-12(2)16(11)19)17(20)15-7-3-5-13-6-4-8-21-18(13)15/h3,5,7,9-10,17,20H,4,6,8H2,1-2H3
InChIKeyJPTHTTRGMUPQTJ-UHFFFAOYSA-N
XLogP4.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 107947846
3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328
3,4-dihydro-2H-chromen-8-yl-(3-methoxy-4-methylphenyl)methanol
CID 115837852
(3-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114743343
3,4-dihydro-2H-chromen-8-yl-[4-(dimethylamino)phenyl]methanol
CID 114743263
3,4-dihydro-2H-chromen-8-yl-(4-ethylphenyl)methanol
CID 114743317
(3-bromo-2-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 115837822
(2-bromo-3,4-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 107538517
3,4-dihydro-2H-chromen-8-yl-[4-(methoxymethyl)phenyl]methanol
CID 114743509
2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1H-inden-5-yl)methanol
CID 115838905
(3-chloro-5-methylphenyl)-(2,3-dihydro-1-benzofuran-7-yl)methanol
CID 115838948
3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol
CID 114743309

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol (CID 114744817) is (4-bromo-3,5-dimethylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol is Cc1cc(C(O)c2cccc3c2OCCC3)cc(C)c1Br.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol?
The InChIKey is JPTHTTRGMUPQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO2/c1-11-9-14(10-12(2)16(11)19)17(20)15-7-3-5-13-6-4-8-21-18(13)15/h3,5,7,9-10,17,20H,4,6,8H2,1-2H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol?
(4-bromo-3,5-dimethylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol has a molecular weight of 347.25 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol is sourced from PubChem (CID 114744817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).