[4-[3-bromo-4-(methoxymethyl)phenyl]phenyl]methanol

C15H15BrO2 — CID 172654460

IUPAC[4-[3-bromo-4-(methoxymethyl)phenyl]phenyl]methanol
SMILESCOCc1ccc(-c2ccc(CO)cc2)cc1Br
InChIInChI=1S/C15H15BrO2/c1-18-10-14-7-6-13(8-15(14)16)12-4-2-11(9-17)3-5-12/h2-8,17H,9-10H2,1H3
InChIKeyACYDHJBVWFTEKU-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.75
Rot. Bonds4

About [4-[3-bromo-4-(methoxymethyl)phenyl]phenyl]methanol

[4-[3-bromo-4-(methoxymethyl)phenyl]phenyl]methanol (PubChem CID 172654460) has the molecular formula C15H15BrO2 and a molecular weight of 307.19 g/mol. Its IUPAC name is [4-[3-bromo-4-(methoxymethyl)phenyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[3-bromo-4-(methoxymethyl)phenyl]phenyl]methanol
PubChem CID172654460
Molecular FormulaC15H15BrO2
Molecular Weight307.19 g/mol
Exact Mass306.03
IUPAC Name[4-[3-bromo-4-(methoxymethyl)phenyl]phenyl]methanol
SMILESCOCc1ccc(-c2ccc(CO)cc2)cc1Br
InChIInChI=1S/C15H15BrO2/c1-18-10-14-7-6-13(8-15(14)16)12-4-2-11(9-17)3-5-12/h2-8,17H,9-10H2,1H3
InChIKeyACYDHJBVWFTEKU-UHFFFAOYSA-N
XLogP3.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-bromo-4-(methoxymethyl)phenyl]ethanol
CID 117364056
[4-[2-(methoxymethyl)-4-(4-methylphenyl)phenyl]phenyl]methanol
CID 145122079
3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-ol
CID 117400911
1-bromo-4-[4-[4-[4-[4-bromo-2,5-bis(methoxymethyl)phenyl]phenyl]phenyl]phenyl]-2,5-bis(methoxymethyl)benzene
CID 102325433
N-[[3-bromo-4-(methoxymethyl)phenyl]methyl]ethanamine
CID 102772329
methyl 2-bromo-5-[4-(hydroxymethyl)phenyl]benzoate
CID 170794940
3-[3-bromo-4-(methoxymethyl)phenyl]propan-1-amine
CID 83901605
4-[4-(4-hydroxyphenyl)-3-(methoxymethyl)phenyl]phenol
CID 142421465
2-bromo-4-[[3-bromo-4-(methoxymethyl)phenyl]disulfanyl]-1-(methoxymethyl)benzene
CID 57296423
[4-(4-bromophenyl)phenyl]methanol
CID 1393673
[4-(3,5-dibromophenyl)phenyl]methanol
CID 56604636
2-bromo-1-(methoxymethyl)-4-(trifluoromethyl)benzene
CID 91883137

Frequently Asked Questions

What is the IUPAC name of [4-[3-bromo-4-(methoxymethyl)phenyl]phenyl]methanol?
The IUPAC name of [4-[3-bromo-4-(methoxymethyl)phenyl]phenyl]methanol (CID 172654460) is [4-[3-bromo-4-(methoxymethyl)phenyl]phenyl]methanol.
What is the SMILES notation for [4-[3-bromo-4-(methoxymethyl)phenyl]phenyl]methanol?
The canonical SMILES for [4-[3-bromo-4-(methoxymethyl)phenyl]phenyl]methanol is COCc1ccc(-c2ccc(CO)cc2)cc1Br.
What is the InChIKey of [4-[3-bromo-4-(methoxymethyl)phenyl]phenyl]methanol?
The InChIKey is ACYDHJBVWFTEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrO2/c1-18-10-14-7-6-13(8-15(14)16)12-4-2-11(9-17)3-5-12/h2-8,17H,9-10H2,1H3.
What are the key properties of [4-[3-bromo-4-(methoxymethyl)phenyl]phenyl]methanol?
[4-[3-bromo-4-(methoxymethyl)phenyl]phenyl]methanol has a molecular weight of 307.19 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-bromo-4-(methoxymethyl)phenyl]phenyl]methanol is sourced from PubChem (CID 172654460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).