2-bromo-5-methoxy-1-phenylmethoxynaphthalene

C18H15BrO2 — CID 10904008

IUPAC2-bromo-5-methoxy-1-phenylmethoxynaphthalene
SMILESCOc1cccc2c(OCc3ccccc3)c(Br)ccc12
InChIInChI=1S/C18H15BrO2/c1-20-17-9-5-8-15-14(17)10-11-16(19)18(15)21-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3
InChIKeyUEDZJAYPQNGHEI-UHFFFAOYSA-N
MW343.22 g/mol
LogP5.19
Rot. Bonds4

About 2-bromo-5-methoxy-1-phenylmethoxynaphthalene

2-bromo-5-methoxy-1-phenylmethoxynaphthalene (PubChem CID 10904008) has the molecular formula C18H15BrO2 and a molecular weight of 343.22 g/mol. Its IUPAC name is 2-bromo-5-methoxy-1-phenylmethoxynaphthalene.

Molecular Properties

Compound Name2-bromo-5-methoxy-1-phenylmethoxynaphthalene
PubChem CID10904008
Molecular FormulaC18H15BrO2
Molecular Weight343.22 g/mol
Exact Mass342.03
IUPAC Name2-bromo-5-methoxy-1-phenylmethoxynaphthalene
SMILESCOc1cccc2c(OCc3ccccc3)c(Br)ccc12
InChIInChI=1S/C18H15BrO2/c1-20-17-9-5-8-15-14(17)10-11-16(19)18(15)21-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3
InChIKeyUEDZJAYPQNGHEI-UHFFFAOYSA-N
XLogP5.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.22
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene
CID 6457254
1-methoxy-3-phenyl-2-phenylmethoxybenzene
CID 11994921
1-(6-bromo-3-methoxy-2-phenylmethoxyphenyl)-N-methylmethanamine
CID 66535502
2-[4-[(2-bromo-6-methoxyphenoxy)methyl]phenyl]acetic acid
CID 104637856
2,5,8-trimethoxy-1-phenylmethoxynaphthalene
CID 132576199
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
potassium;3-methoxy-2-phenylmethoxybenzaldehyde;hydroxide
CID 160863194
5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene
CID 67273337
1-bromo-4-methoxynaphthalene;ethane
CID 143974048
2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene
CID 60673478
3-methoxy-2-phenylmethoxybenzoyl chloride
CID 22736875

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-1-phenylmethoxynaphthalene?
The IUPAC name of 2-bromo-5-methoxy-1-phenylmethoxynaphthalene (CID 10904008) is 2-bromo-5-methoxy-1-phenylmethoxynaphthalene.
What is the SMILES notation for 2-bromo-5-methoxy-1-phenylmethoxynaphthalene?
The canonical SMILES for 2-bromo-5-methoxy-1-phenylmethoxynaphthalene is COc1cccc2c(OCc3ccccc3)c(Br)ccc12.
What is the InChIKey of 2-bromo-5-methoxy-1-phenylmethoxynaphthalene?
The InChIKey is UEDZJAYPQNGHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO2/c1-20-17-9-5-8-15-14(17)10-11-16(19)18(15)21-12-13-6-3-2-4-7-13/h2-11H,12H2,1H3.
What are the key properties of 2-bromo-5-methoxy-1-phenylmethoxynaphthalene?
2-bromo-5-methoxy-1-phenylmethoxynaphthalene has a molecular weight of 343.22 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-1-phenylmethoxynaphthalene is sourced from PubChem (CID 10904008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).