(3-bromo-5-methylphenyl)-(2,5-dimethylphenyl)methanol

C16H17BrO — CID 113460971

IUPAC(3-bromo-5-methylphenyl)-(2,5-dimethylphenyl)methanol
SMILESCc1cc(Br)cc(C(O)c2cc(C)ccc2C)c1
InChIInChI=1S/C16H17BrO/c1-10-4-5-12(3)15(8-10)16(18)13-6-11(2)7-14(17)9-13/h4-9,16,18H,1-3H3
InChIKeyNHFAUCKOOOMMSG-UHFFFAOYSA-N
MW305.22 g/mol
LogP4.46
Rot. Bonds2

About (3-bromo-5-methylphenyl)-(2,5-dimethylphenyl)methanol

(3-bromo-5-methylphenyl)-(2,5-dimethylphenyl)methanol (PubChem CID 113460971) has the molecular formula C16H17BrO and a molecular weight of 305.22 g/mol. Its IUPAC name is (3-bromo-5-methylphenyl)-(2,5-dimethylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-methylphenyl)-(2,5-dimethylphenyl)methanol
PubChem CID113460971
Molecular FormulaC16H17BrO
Molecular Weight305.22 g/mol
Exact Mass304.05
IUPAC Name(3-bromo-5-methylphenyl)-(2,5-dimethylphenyl)methanol
SMILESCc1cc(Br)cc(C(O)c2cc(C)ccc2C)c1
InChIInChI=1S/C16H17BrO/c1-10-4-5-12(3)15(8-10)16(18)13-6-11(2)7-14(17)9-13/h4-9,16,18H,1-3H3
InChIKeyNHFAUCKOOOMMSG-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromophenyl)-(2,5-dimethylphenyl)methanol
CID 61089224
(2,4-dibromophenyl)-(2,5-dimethylphenyl)methanol
CID 114019435
(3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol
CID 115793225
1-(3-bromo-5-methylphenyl)ethanol
CID 84680750
(2-bromo-3-methylphenyl)-(2,5-dimethylphenyl)methanol
CID 114023965
(3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879416
(5-bromo-2-pyridinyl)-(2,5-dimethylphenyl)methanol
CID 115606170
(3,5-dibromophenyl)-(2,4,6-trimethylphenyl)methanol
CID 107980714
(2,4-dibromophenyl)-(3,5-dimethylphenyl)methanol
CID 107947280
[(3,5-dibromophenyl)-(2,5-dimethylphenyl)methyl]hydrazine
CID 114023425
(3-bromo-5-methylphenyl)-(4-methoxyphenyl)methanol
CID 113460969
(4-bromothiophen-3-yl)-(2,5-dimethylphenyl)methanol
CID 79596472

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methylphenyl)-(2,5-dimethylphenyl)methanol?
The IUPAC name of (3-bromo-5-methylphenyl)-(2,5-dimethylphenyl)methanol (CID 113460971) is (3-bromo-5-methylphenyl)-(2,5-dimethylphenyl)methanol.
What is the SMILES notation for (3-bromo-5-methylphenyl)-(2,5-dimethylphenyl)methanol?
The canonical SMILES for (3-bromo-5-methylphenyl)-(2,5-dimethylphenyl)methanol is Cc1cc(Br)cc(C(O)c2cc(C)ccc2C)c1.
What is the InChIKey of (3-bromo-5-methylphenyl)-(2,5-dimethylphenyl)methanol?
The InChIKey is NHFAUCKOOOMMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO/c1-10-4-5-12(3)15(8-10)16(18)13-6-11(2)7-14(17)9-13/h4-9,16,18H,1-3H3.
What are the key properties of (3-bromo-5-methylphenyl)-(2,5-dimethylphenyl)methanol?
(3-bromo-5-methylphenyl)-(2,5-dimethylphenyl)methanol has a molecular weight of 305.22 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methylphenyl)-(2,5-dimethylphenyl)methanol is sourced from PubChem (CID 113460971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).