(2-bromo-3-propoxyphenyl)methanol

C10H13BrO2 — CID 118270127

IUPAC(2-bromo-3-propoxyphenyl)methanol
SMILESCCCOc1cccc(CO)c1Br
InChIInChI=1S/C10H13BrO2/c1-2-6-13-9-5-3-4-8(7-12)10(9)11/h3-5,12H,2,6-7H2,1H3
InChIKeyYRYAULKOUNMLEO-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.73
Rot. Bonds4

About (2-bromo-3-propoxyphenyl)methanol

(2-bromo-3-propoxyphenyl)methanol (PubChem CID 118270127) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is (2-bromo-3-propoxyphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-3-propoxyphenyl)methanol
PubChem CID118270127
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name(2-bromo-3-propoxyphenyl)methanol
SMILESCCCOc1cccc(CO)c1Br
InChIInChI=1S/C10H13BrO2/c1-2-6-13-9-5-3-4-8(7-12)10(9)11/h3-5,12H,2,6-7H2,1H3
InChIKeyYRYAULKOUNMLEO-UHFFFAOYSA-N
XLogP2.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-3-propoxyphenyl)methanamine
CID 151857496
(2-bromo-3-methoxyphenyl)methanol
CID 54103130
2-bromo-3-propoxybenzonitrile
CID 172915392
1-(bromomethyl)-2-propoxybenzene
CID 43141572
(2-octoxyphenyl)methanol
CID 43128604
1-bromo-2,3-dipropoxybenzene
CID 91157628
1,2,3-tribromo-4-propoxybenzene
CID 70578874
1-bromo-2-chloro-3-propoxybenzene
CID 126752460
[2-(2-butoxyethoxy)phenyl]methanol
CID 29003825
[4-[(2-propoxyphenoxy)methyl]phenyl]methanol
CID 115969538
ethane;1-ethyl-2-methoxy-3-propoxybenzene
CID 143988437
[3-(2-methoxyethoxy)-2-methylphenyl]methanol
CID 67112208

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-propoxyphenyl)methanol?
The IUPAC name of (2-bromo-3-propoxyphenyl)methanol (CID 118270127) is (2-bromo-3-propoxyphenyl)methanol.
What is the SMILES notation for (2-bromo-3-propoxyphenyl)methanol?
The canonical SMILES for (2-bromo-3-propoxyphenyl)methanol is CCCOc1cccc(CO)c1Br.
What is the InChIKey of (2-bromo-3-propoxyphenyl)methanol?
The InChIKey is YRYAULKOUNMLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-2-6-13-9-5-3-4-8(7-12)10(9)11/h3-5,12H,2,6-7H2,1H3.
What are the key properties of (2-bromo-3-propoxyphenyl)methanol?
(2-bromo-3-propoxyphenyl)methanol has a molecular weight of 245.12 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-propoxyphenyl)methanol is sourced from PubChem (CID 118270127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).