[4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol

C11H12BrClO3 — CID 60873214

IUPAC[4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol
SMILESC=C(Br)COc1c(Cl)cc(CO)cc1OC
InChIInChI=1S/C11H12BrClO3/c1-7(12)6-16-11-9(13)3-8(5-14)4-10(11)15-2/h3-4,14H,1,5-6H2,2H3
InChIKeyYDEXNHMXUIKQJI-UHFFFAOYSA-N
MW307.57 g/mol
LogP3.13
Rot. Bonds5

About [4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol

[4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol (PubChem CID 60873214) has the molecular formula C11H12BrClO3 and a molecular weight of 307.57 g/mol. Its IUPAC name is [4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol
PubChem CID60873214
Molecular FormulaC11H12BrClO3
Molecular Weight307.57 g/mol
Exact Mass305.97
IUPAC Name[4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol
SMILESC=C(Br)COc1c(Cl)cc(CO)cc1OC
InChIInChI=1S/C11H12BrClO3/c1-7(12)6-16-11-9(13)3-8(5-14)4-10(11)15-2/h3-4,14H,1,5-6H2,2H3
InChIKeyYDEXNHMXUIKQJI-UHFFFAOYSA-N
XLogP3.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.57
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methyl]propan-2-amine
CID 60879295
2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
CID 28898382
[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol
CID 28898258
[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol
CID 113436945
1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol
CID 60883908
[3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol
CID 54958089
[3-chloro-4-(2-chloroprop-2-enoxy)-5-methoxyphenyl]methanamine
CID 60880538
[3-chloro-5-methoxy-4-(2-methylprop-2-enoxy)phenyl]methanamine
CID 60880536
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol
CID 61343380
[3-chloro-4-(2,2-diethoxyethoxy)-5-methoxyphenyl]methanol
CID 114459550
2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
CID 28898320
[4-[(3-bromophenyl)methoxy]-3-chloro-5-methoxyphenyl]methanol
CID 28898339

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol?
The IUPAC name of [4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol (CID 60873214) is [4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol.
What is the SMILES notation for [4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol?
The canonical SMILES for [4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol is C=C(Br)COc1c(Cl)cc(CO)cc1OC.
What is the InChIKey of [4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol?
The InChIKey is YDEXNHMXUIKQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClO3/c1-7(12)6-16-11-9(13)3-8(5-14)4-10(11)15-2/h3-4,14H,1,5-6H2,2H3.
What are the key properties of [4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol?
[4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol has a molecular weight of 307.57 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol is sourced from PubChem (CID 60873214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).