[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methanol

C18H15BrO2 — CID 43505743

IUPAC[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methanol
SMILESOCc1c(OCc2cccc(Br)c2)ccc2ccccc12
InChIInChI=1S/C18H15BrO2/c19-15-6-3-4-13(10-15)12-21-18-9-8-14-5-1-2-7-16(14)17(18)11-20/h1-10,20H,11-12H2
InChIKeyPEPQCMTVHDHJRM-UHFFFAOYSA-N
MW343.22 g/mol
LogP4.67
Rot. Bonds4

About [2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methanol

[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methanol (PubChem CID 43505743) has the molecular formula C18H15BrO2 and a molecular weight of 343.22 g/mol. Its IUPAC name is [2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methanol
PubChem CID43505743
Molecular FormulaC18H15BrO2
Molecular Weight343.22 g/mol
Exact Mass342.03
IUPAC Name[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methanol
SMILESOCc1c(OCc2cccc(Br)c2)ccc2ccccc12
InChIInChI=1S/C18H15BrO2/c19-15-6-3-4-13(10-15)12-21-18-9-8-14-5-1-2-7-16(14)17(18)11-20/h1-10,20H,11-12H2
InChIKeyPEPQCMTVHDHJRM-UHFFFAOYSA-N
XLogP4.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methanol
CID 964391
[5-bromo-2-(naphthalen-2-ylmethoxy)phenyl]methanol
CID 45371588
[3-[(3-bromophenyl)methoxy]-6-methyl-2-pyridinyl]methanol
CID 79158554
1-(chloromethyl)-2-[(3-chlorophenyl)methoxy]naphthalene
CID 43505675
[2-[(3-fluorophenyl)methoxy]naphthalen-1-yl]methanamine
CID 43505452
N-[[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylacetamide
CID 85032915
1-bromo-2-[(3-methylphenyl)methoxy]naphthalene
CID 60623253
[2-(methoxymethoxy)naphthalen-1-yl]methanol
CID 65364950
(2-bromoanthracen-9-yl)methanol
CID 87382861
2-[2-[(3-bromophenyl)methoxy]phenyl]acetic acid
CID 80742211
[2-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-yl]methanol
CID 43505734
[2-(hydroxymethyl)-3-phenylmethoxyphenyl]methanol
CID 54499676

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methanol?
The IUPAC name of [2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methanol (CID 43505743) is [2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methanol.
What is the SMILES notation for [2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methanol?
The canonical SMILES for [2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methanol is OCc1c(OCc2cccc(Br)c2)ccc2ccccc12.
What is the InChIKey of [2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methanol?
The InChIKey is PEPQCMTVHDHJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrO2/c19-15-6-3-4-13(10-15)12-21-18-9-8-14-5-1-2-7-16(14)17(18)11-20/h1-10,20H,11-12H2.
What are the key properties of [2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methanol?
[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methanol has a molecular weight of 343.22 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methanol is sourced from PubChem (CID 43505743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).