(4-bromo-2-methoxyphenyl)-naphthalen-1-ylmethanol

C18H15BrO2 — CID 115369767

IUPAC(4-bromo-2-methoxyphenyl)-naphthalen-1-ylmethanol
SMILESCOc1cc(Br)ccc1C(O)c1cccc2ccccc12
InChIInChI=1S/C18H15BrO2/c1-21-17-11-13(19)9-10-16(17)18(20)15-8-4-6-12-5-2-3-7-14(12)15/h2-11,18,20H,1H3
InChIKeyRRRNXYBIPINBRN-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.69
Rot. Bonds3

About (4-bromo-2-methoxyphenyl)-naphthalen-1-ylmethanol

(4-bromo-2-methoxyphenyl)-naphthalen-1-ylmethanol (PubChem CID 115369767) has the molecular formula C18H15BrO2 and a molecular weight of 343.22 g/mol. Its IUPAC name is (4-bromo-2-methoxyphenyl)-naphthalen-1-ylmethanol.

Molecular Properties

Compound Name(4-bromo-2-methoxyphenyl)-naphthalen-1-ylmethanol
PubChem CID115369767
Molecular FormulaC18H15BrO2
Molecular Weight343.22 g/mol
Exact Mass342.03
IUPAC Name(4-bromo-2-methoxyphenyl)-naphthalen-1-ylmethanol
SMILESCOc1cc(Br)ccc1C(O)c1cccc2ccccc12
InChIInChI=1S/C18H15BrO2/c1-21-17-11-13(19)9-10-16(17)18(20)15-8-4-6-12-5-2-3-7-14(12)15/h2-11,18,20H,1H3
InChIKeyRRRNXYBIPINBRN-UHFFFAOYSA-N
XLogP4.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791553
1-[bis(5-bromo-2-methoxyphenyl)methyl]naphthalene
CID 156583433
(4-bromo-2-methoxyphenyl)-(2,3-difluorophenyl)methanol
CID 115800768
(4-bromo-2-methoxyphenyl)-(2,5-dibromophenyl)methanol
CID 115369715
(5-bromo-2-fluorophenyl)-naphthalen-1-ylmethanol
CID 63894699
(S)-(2-bromophenyl)-naphthalen-1-ylmethanol
CID 94601935
1-(4-bromo-2-methoxyphenyl)-2-(3-bromophenyl)ethanol
CID 115370074
(4-bromo-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303339
(4-bromo-2-methoxyphenyl)-(4-methoxy-2,5-dimethylphenyl)methanol
CID 115831252
1-(4-bromo-2-methoxyphenyl)-2-(4-bromophenyl)ethanol
CID 115370061
(4-bromo-2-methoxyphenyl)-(2,5-dibromo-4-methylphenyl)methanol
CID 115369780
(4-bromo-2-methoxyphenyl)-thiophen-2-ylmethanol
CID 115369724

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-methoxyphenyl)-naphthalen-1-ylmethanol?
The IUPAC name of (4-bromo-2-methoxyphenyl)-naphthalen-1-ylmethanol (CID 115369767) is (4-bromo-2-methoxyphenyl)-naphthalen-1-ylmethanol.
What is the SMILES notation for (4-bromo-2-methoxyphenyl)-naphthalen-1-ylmethanol?
The canonical SMILES for (4-bromo-2-methoxyphenyl)-naphthalen-1-ylmethanol is COc1cc(Br)ccc1C(O)c1cccc2ccccc12.
What is the InChIKey of (4-bromo-2-methoxyphenyl)-naphthalen-1-ylmethanol?
The InChIKey is RRRNXYBIPINBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO2/c1-21-17-11-13(19)9-10-16(17)18(20)15-8-4-6-12-5-2-3-7-14(12)15/h2-11,18,20H,1H3.
What are the key properties of (4-bromo-2-methoxyphenyl)-naphthalen-1-ylmethanol?
(4-bromo-2-methoxyphenyl)-naphthalen-1-ylmethanol has a molecular weight of 343.22 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-methoxyphenyl)-naphthalen-1-ylmethanol is sourced from PubChem (CID 115369767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).