[2-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-yl]methanol

C16H13ClO2S — CID 43505734

IUPAC[2-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-yl]methanol
SMILESOCc1c(OCc2ccc(Cl)s2)ccc2ccccc12
InChIInChI=1S/C16H13ClO2S/c17-16-8-6-12(20-16)10-19-15-7-5-11-3-1-2-4-13(11)14(15)9-18/h1-8,18H,9-10H2
InChIKeyARSMFWCETIWXKC-UHFFFAOYSA-N
MW304.80 g/mol
LogP4.63
Rot. Bonds4

About [2-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-yl]methanol

[2-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-yl]methanol (PubChem CID 43505734) has the molecular formula C16H13ClO2S and a molecular weight of 304.80 g/mol. Its IUPAC name is [2-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-yl]methanol.

Molecular Properties

Compound Name[2-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-yl]methanol
PubChem CID43505734
Molecular FormulaC16H13ClO2S
Molecular Weight304.80 g/mol
Exact Mass304.03
IUPAC Name[2-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-yl]methanol
SMILESOCc1c(OCc2ccc(Cl)s2)ccc2ccccc12
InChIInChI=1S/C16H13ClO2S/c17-16-8-6-12(20-16)10-19-15-7-5-11-3-1-2-4-13(11)14(15)9-18/h1-8,18H,9-10H2
InChIKeyARSMFWCETIWXKC-UHFFFAOYSA-N
XLogP4.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-yl]methanamine
CID 60887305
4-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-amine
CID 63691859
[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methanol
CID 964391
[2-(methoxymethoxy)naphthalen-1-yl]methanol
CID 65364950
2-chloro-5-(phenoxymethyl)thiophene
CID 60655556
[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methanol
CID 43505743
[2-(3-methylbutoxy)naphthalen-1-yl]methanol
CID 43505713
[2-(2-propoxyethoxy)naphthalen-1-yl]methanol
CID 106453720
[4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylphenyl]methanol
CID 28933274
[2-(difluoromethoxy)naphthalen-1-yl]methanol
CID 43394581
4-bromo-2-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]thiophene
CID 63534351
N-[(5-chlorothiophen-2-yl)methyl]-2-(1-fluoronaphthalen-2-yl)oxyethanamine
CID 59053600

Frequently Asked Questions

What is the IUPAC name of [2-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-yl]methanol?
The IUPAC name of [2-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-yl]methanol (CID 43505734) is [2-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-yl]methanol.
What is the SMILES notation for [2-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-yl]methanol?
The canonical SMILES for [2-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-yl]methanol is OCc1c(OCc2ccc(Cl)s2)ccc2ccccc12.
What is the InChIKey of [2-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-yl]methanol?
The InChIKey is ARSMFWCETIWXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO2S/c17-16-8-6-12(20-16)10-19-15-7-5-11-3-1-2-4-13(11)14(15)9-18/h1-8,18H,9-10H2.
What are the key properties of [2-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-yl]methanol?
[2-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-yl]methanol has a molecular weight of 304.80 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(5-chlorothiophen-2-yl)methoxy]naphthalen-1-yl]methanol is sourced from PubChem (CID 43505734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).