2-[(5-chlorothiophen-2-yl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol

C16H17ClO2S — CID 115510908

IUPAC2-[(5-chlorothiophen-2-yl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
SMILESCOc1ccc2c(c1)CC(O)(Cc1ccc(Cl)s1)CC2
InChIInChI=1S/C16H17ClO2S/c1-19-13-3-2-11-6-7-16(18,9-12(11)8-13)10-14-4-5-15(17)20-14/h2-5,8,18H,6-7,9-10H2,1H3
InChIKeyYTCKUGGKCPSDSH-UHFFFAOYSA-N
MW308.83 g/mol
LogP3.87
Rot. Bonds3

About 2-[(5-chlorothiophen-2-yl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol

2-[(5-chlorothiophen-2-yl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 115510908) has the molecular formula C16H17ClO2S and a molecular weight of 308.83 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID115510908
Molecular FormulaC16H17ClO2S
Molecular Weight308.83 g/mol
Exact Mass308.06
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
SMILESCOc1ccc2c(c1)CC(O)(Cc1ccc(Cl)s1)CC2
InChIInChI=1S/C16H17ClO2S/c1-19-13-3-2-11-6-7-16(18,9-12(11)8-13)10-14-4-5-15(17)20-14/h2-5,8,18H,6-7,9-10H2,1H3
InChIKeyYTCKUGGKCPSDSH-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.83
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-hydroxyphenyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115511060
2-[(3-chloro-4-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115510925
7-methoxy-2-(methylaminomethyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115511135
7-methoxy-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 115511023
2-(2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl)acetonitrile
CID 115511264
7-methoxy-2-pent-4-ynyl-3,4-dihydro-1H-naphthalen-2-ol
CID 113374244
7-methoxy-2-(3-methylbutyl)-3,4-dihydro-1H-naphthalen-2-ol
CID 115510904
2-(hydroxymethyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 105461731
2-[(2-amino-3-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
CID 115510921
7-methoxy-2-[(2-methoxyethylamino)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 115511140
1-[(5-chlorothiophen-2-yl)methyl]cycloheptan-1-ol
CID 65147193
2-[(5-ethylthiophen-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 65146415

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol (CID 115510908) is 2-[(5-chlorothiophen-2-yl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol is COc1ccc2c(c1)CC(O)(Cc1ccc(Cl)s1)CC2.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is YTCKUGGKCPSDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2S/c1-19-13-3-2-11-6-7-16(18,9-12(11)8-13)10-14-4-5-15(17)20-14/h2-5,8,18H,6-7,9-10H2,1H3.
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
2-[(5-chlorothiophen-2-yl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 308.83 g/mol, XLogP of 3.87, 3 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)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 115510908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).