1-bromo-3-methoxybenzene;1-methoxy-3-phenoxybenzene;phenol

C26H25BrO4 — CID 157264679

IUPAC1-bromo-3-methoxybenzene;1-methoxy-3-phenoxybenzene;phenol
SMILESCOc1cccc(Br)c1.COc1cccc(Oc2ccccc2)c1.Oc1ccccc1
InChIInChI=1S/C13H12O2.C7H7BrO.C6H6O/c1-14-12-8-5-9-13(10-12)15-11-6-3-2-4-7-11;1-9-7-4-2-3-6(8)5-7;7-6-4-2-1-3-5-6/h2-10H,1H3;2-5H,1H3;1-5,7H
InChIKeyAXVZJVFYHKJTJX-UHFFFAOYSA-N
MW481.39 g/mol
LogP7.34
Rot. Bonds4

About 1-bromo-3-methoxybenzene;1-methoxy-3-phenoxybenzene;phenol

1-bromo-3-methoxybenzene;1-methoxy-3-phenoxybenzene;phenol (PubChem CID 157264679) has the molecular formula C26H25BrO4 and a molecular weight of 481.39 g/mol. Its IUPAC name is 1-bromo-3-methoxybenzene;1-methoxy-3-phenoxybenzene;phenol.

Molecular Properties

Compound Name1-bromo-3-methoxybenzene;1-methoxy-3-phenoxybenzene;phenol
PubChem CID157264679
Molecular FormulaC26H25BrO4
Molecular Weight481.39 g/mol
Exact Mass480.09
IUPAC Name1-bromo-3-methoxybenzene;1-methoxy-3-phenoxybenzene;phenol
SMILESCOc1cccc(Br)c1.COc1cccc(Oc2ccccc2)c1.Oc1ccccc1
InChIInChI=1S/C13H12O2.C7H7BrO.C6H6O/c1-14-12-8-5-9-13(10-12)15-11-6-3-2-4-7-11;1-9-7-4-2-3-6(8)5-7;7-6-4-2-1-3-5-6/h2-10H,1H3;2-5H,1H3;1-5,7H
InChIKeyAXVZJVFYHKJTJX-UHFFFAOYSA-N
XLogP7.34
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.39
LogP ≤ 57.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
1-bromo-3-(4-phenylmethoxyphenoxy)benzene
CID 44818238
ethane;3-methoxyphenol
CID 142018283
sodium 3-methoxyphenol
CID 19079440
4-[3-(4-phenoxyphenyl)peroxyphenoxy]phenol
CID 142817698
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
anisole;ethane;iodomethane;phenol
CID 143200210
1-bromo-3-[(3-phenoxyphenyl)methoxymethyl]benzene
CID 67395522
bis[4-(3-bromophenoxy)phenyl]methanone
CID 22494465
CID 172849383
CID 172849383
tris(1,3-dimethoxybenzene);phosphane
CID 160853878

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-methoxybenzene;1-methoxy-3-phenoxybenzene;phenol?
The IUPAC name of 1-bromo-3-methoxybenzene;1-methoxy-3-phenoxybenzene;phenol (CID 157264679) is 1-bromo-3-methoxybenzene;1-methoxy-3-phenoxybenzene;phenol.
What is the SMILES notation for 1-bromo-3-methoxybenzene;1-methoxy-3-phenoxybenzene;phenol?
The canonical SMILES for 1-bromo-3-methoxybenzene;1-methoxy-3-phenoxybenzene;phenol is COc1cccc(Br)c1.COc1cccc(Oc2ccccc2)c1.Oc1ccccc1.
What is the InChIKey of 1-bromo-3-methoxybenzene;1-methoxy-3-phenoxybenzene;phenol?
The InChIKey is AXVZJVFYHKJTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2.C7H7BrO.C6H6O/c1-14-12-8-5-9-13(10-12)15-11-6-3-2-4-7-11;1-9-7-4-2-3-6(8)5-7;7-6-4-2-1-3-5-6/h2-10H,1H3;2-5H,1H3;1-5,7H.
What are the key properties of 1-bromo-3-methoxybenzene;1-methoxy-3-phenoxybenzene;phenol?
1-bromo-3-methoxybenzene;1-methoxy-3-phenoxybenzene;phenol has a molecular weight of 481.39 g/mol, XLogP of 7.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-methoxybenzene;1-methoxy-3-phenoxybenzene;phenol is sourced from PubChem (CID 157264679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).