2-[(3-chloro-4-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol

C17H18ClNO2 — CID 115510925

IUPAC2-[(3-chloro-4-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
SMILESCOc1ccc2c(c1)CC(O)(Cc1ccncc1Cl)CC2
InChIInChI=1S/C17H18ClNO2/c1-21-15-3-2-12-4-6-17(20,10-14(12)8-15)9-13-5-7-19-11-16(13)18/h2-3,5,7-8,11,20H,4,6,9-10H2,1H3
InChIKeyDXCUYEZWHWSSHB-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.21
Rot. Bonds3

About 2-[(3-chloro-4-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol

2-[(3-chloro-4-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 115510925) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-[(3-chloro-4-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name2-[(3-chloro-4-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID115510925
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-[(3-chloro-4-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol
SMILESCOc1ccc2c(c1)CC(O)(Cc1ccncc1Cl)CC2
InChIInChI=1S/C17H18ClNO2/c1-21-15-3-2-12-4-6-17(20,10-14(12)8-15)9-13-5-7-19-11-16(13)18/h2-3,5,7-8,11,20H,4,6,9-10H2,1H3
InChIKeyDXCUYEZWHWSSHB-UHFFFAOYSA-N
XLogP3.21
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 2-[(3-chloro-4-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol (CID 115510925) is 2-[(3-chloro-4-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 2-[(3-chloro-4-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 2-[(3-chloro-4-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol is COc1ccc2c(c1)CC(O)(Cc1ccncc1Cl)CC2.
What is the InChIKey of 2-[(3-chloro-4-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is DXCUYEZWHWSSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-21-15-3-2-12-4-6-17(20,10-14(12)8-15)9-13-5-7-19-11-16(13)18/h2-3,5,7-8,11,20H,4,6,9-10H2,1H3.
What are the key properties of 2-[(3-chloro-4-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol?
2-[(3-chloro-4-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 303.79 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-pyridinyl)methyl]-7-methoxy-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 115510925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).