4-[(4-bromophenyl)-hydroxymethyl]phenol

C13H11BrO2 — CID 146871813

IUPAC4-[(4-bromophenyl)-hydroxymethyl]phenol
SMILESOc1ccc(C(O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H11BrO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,15-16H
InChIKeySOEOZWOKTDPSFM-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.24
Rot. Bonds2

About 4-[(4-bromophenyl)-hydroxymethyl]phenol

4-[(4-bromophenyl)-hydroxymethyl]phenol (PubChem CID 146871813) has the molecular formula C13H11BrO2 and a molecular weight of 279.13 g/mol. Its IUPAC name is 4-[(4-bromophenyl)-hydroxymethyl]phenol.

Molecular Properties

Compound Name4-[(4-bromophenyl)-hydroxymethyl]phenol
PubChem CID146871813
Molecular FormulaC13H11BrO2
Molecular Weight279.13 g/mol
Exact Mass277.99
IUPAC Name4-[(4-bromophenyl)-hydroxymethyl]phenol
SMILESOc1ccc(C(O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C13H11BrO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,15-16H
InChIKeySOEOZWOKTDPSFM-UHFFFAOYSA-N
XLogP3.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(4-bromophenyl)-phenylmethanol
CID 778571
(4-bromophenyl)-(2,3,4,5,6-pentadeuteriophenyl)methanol
CID 131667546
(4-bromophenyl)-(4-chlorophenyl)methanol;ethane
CID 143569170
(S)-(4-bromophenyl)-phenylmethanol;carbon monoxide;chromium
CID 10873031
(R)-(4-bromophenyl)-(4-methylsulfanylphenyl)methanol
CID 97056034
(4-bromophenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 61100365
(1R,2R)-1,2-bis(4-bromophenyl)ethane-1,2-diol
CID 11046931
(3-bromo-4-fluorophenyl)-(4-bromophenyl)methanol
CID 79746542
4-[(R)-hydroxy-(4-hydroxyphenyl)methyl]benzonitrile
CID 125469519
4-bromophenol;propan-2-one
CID 159519673
(4-bromophenyl)-(2,6-difluorophenyl)methanol
CID 61100872
(4-bromophenyl)-(4-chloro-2-fluorophenyl)methanol
CID 61101398

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)-hydroxymethyl]phenol?
The IUPAC name of 4-[(4-bromophenyl)-hydroxymethyl]phenol (CID 146871813) is 4-[(4-bromophenyl)-hydroxymethyl]phenol.
What is the SMILES notation for 4-[(4-bromophenyl)-hydroxymethyl]phenol?
The canonical SMILES for 4-[(4-bromophenyl)-hydroxymethyl]phenol is Oc1ccc(C(O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[(4-bromophenyl)-hydroxymethyl]phenol?
The InChIKey is SOEOZWOKTDPSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,15-16H.
What are the key properties of 4-[(4-bromophenyl)-hydroxymethyl]phenol?
4-[(4-bromophenyl)-hydroxymethyl]phenol has a molecular weight of 279.13 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)-hydroxymethyl]phenol is sourced from PubChem (CID 146871813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).