5-bromo-1-methoxy-3-methyl-8-phenylmethoxynaphthalene

C19H17BrO2 — CID 11035690

IUPAC5-bromo-1-methoxy-3-methyl-8-phenylmethoxynaphthalene
SMILESCOc1cc(C)cc2c(Br)ccc(OCc3ccccc3)c12
InChIInChI=1S/C19H17BrO2/c1-13-10-15-16(20)8-9-17(19(15)18(11-13)21-2)22-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyPCSYSYRXKYNBNB-UHFFFAOYSA-N
MW357.25 g/mol
LogP5.50
Rot. Bonds4

About 5-bromo-1-methoxy-3-methyl-8-phenylmethoxynaphthalene

5-bromo-1-methoxy-3-methyl-8-phenylmethoxynaphthalene (PubChem CID 11035690) has the molecular formula C19H17BrO2 and a molecular weight of 357.25 g/mol. Its IUPAC name is 5-bromo-1-methoxy-3-methyl-8-phenylmethoxynaphthalene.

Molecular Properties

Compound Name5-bromo-1-methoxy-3-methyl-8-phenylmethoxynaphthalene
PubChem CID11035690
Molecular FormulaC19H17BrO2
Molecular Weight357.25 g/mol
Exact Mass356.04
IUPAC Name5-bromo-1-methoxy-3-methyl-8-phenylmethoxynaphthalene
SMILESCOc1cc(C)cc2c(Br)ccc(OCc3ccccc3)c12
InChIInChI=1S/C19H17BrO2/c1-13-10-15-16(20)8-9-17(19(15)18(11-13)21-2)22-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyPCSYSYRXKYNBNB-UHFFFAOYSA-N
XLogP5.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.25
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)boronic acid
CID 11088545
5-bromo-1,3-dimethoxy-2-phenylmethoxybenzene
CID 71601563
4-bromo-8-methoxy-6-methylnaphthalen-1-ol
CID 163914656
5-bromo-1-methoxy-3-methyl-2-phenylmethoxybenzene
CID 67273337
2-bromo-5-methoxy-1-phenylmethoxynaphthalene
CID 10904008
1-bromo-6-methyl-7-(4-methylphenyl)-4-phenylmethoxynaphthalene
CID 121324732
(3-bromo-5-methoxy-4-phenylmethoxyphenyl)methanamine
CID 43622225
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
12-methoxy-8-methyl-1-phenylmethoxynaphtho[1,2-c]isochromen-6-one
CID 134102350
1-bromo-3-iodo-2-methyl-4-phenylmethoxybenzene
CID 134498356
1-iodo-4,5-dimethoxy-3-methyl-2-phenylmethoxybenzene
CID 11143485
1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene
CID 12062736

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methoxy-3-methyl-8-phenylmethoxynaphthalene?
The IUPAC name of 5-bromo-1-methoxy-3-methyl-8-phenylmethoxynaphthalene (CID 11035690) is 5-bromo-1-methoxy-3-methyl-8-phenylmethoxynaphthalene.
What is the SMILES notation for 5-bromo-1-methoxy-3-methyl-8-phenylmethoxynaphthalene?
The canonical SMILES for 5-bromo-1-methoxy-3-methyl-8-phenylmethoxynaphthalene is COc1cc(C)cc2c(Br)ccc(OCc3ccccc3)c12.
What is the InChIKey of 5-bromo-1-methoxy-3-methyl-8-phenylmethoxynaphthalene?
The InChIKey is PCSYSYRXKYNBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrO2/c1-13-10-15-16(20)8-9-17(19(15)18(11-13)21-2)22-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of 5-bromo-1-methoxy-3-methyl-8-phenylmethoxynaphthalene?
5-bromo-1-methoxy-3-methyl-8-phenylmethoxynaphthalene has a molecular weight of 357.25 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methoxy-3-methyl-8-phenylmethoxynaphthalene is sourced from PubChem (CID 11035690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).