(1-chloro-6-methoxy-3,4-dihydronaphthalen-2-yl) formate

C12H11ClO3 — CID 53308345

IUPAC(1-chloro-6-methoxy-3,4-dihydronaphthalen-2-yl) formate
SMILESCOc1ccc2c(c1)CCC(OC=O)=C2Cl
InChIInChI=1S/C12H11ClO3/c1-15-9-3-4-10-8(6-9)2-5-11(12(10)13)16-7-14/h3-4,6-7H,2,5H2,1H3
InChIKeyDPEIAHVTQZIGMN-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.72
Rot. Bonds3

About (1-chloro-6-methoxy-3,4-dihydronaphthalen-2-yl) formate

(1-chloro-6-methoxy-3,4-dihydronaphthalen-2-yl) formate (PubChem CID 53308345) has the molecular formula C12H11ClO3 and a molecular weight of 238.67 g/mol. Its IUPAC name is (1-chloro-6-methoxy-3,4-dihydronaphthalen-2-yl) formate.

Molecular Properties

Compound Name(1-chloro-6-methoxy-3,4-dihydronaphthalen-2-yl) formate
PubChem CID53308345
Molecular FormulaC12H11ClO3
Molecular Weight238.67 g/mol
Exact Mass238.04
IUPAC Name(1-chloro-6-methoxy-3,4-dihydronaphthalen-2-yl) formate
SMILESCOc1ccc2c(c1)CCC(OC=O)=C2Cl
InChIInChI=1S/C12H11ClO3/c1-15-9-3-4-10-8(6-9)2-5-11(12(10)13)16-7-14/h3-4,6-7H,2,5H2,1H3
InChIKeyDPEIAHVTQZIGMN-UHFFFAOYSA-N
XLogP2.72
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-chloro-6-methoxy-3,4-dihydronaphthalen-2-yl) formate?
The IUPAC name of (1-chloro-6-methoxy-3,4-dihydronaphthalen-2-yl) formate (CID 53308345) is (1-chloro-6-methoxy-3,4-dihydronaphthalen-2-yl) formate.
What is the SMILES notation for (1-chloro-6-methoxy-3,4-dihydronaphthalen-2-yl) formate?
The canonical SMILES for (1-chloro-6-methoxy-3,4-dihydronaphthalen-2-yl) formate is COc1ccc2c(c1)CCC(OC=O)=C2Cl.
What is the InChIKey of (1-chloro-6-methoxy-3,4-dihydronaphthalen-2-yl) formate?
The InChIKey is DPEIAHVTQZIGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO3/c1-15-9-3-4-10-8(6-9)2-5-11(12(10)13)16-7-14/h3-4,6-7H,2,5H2,1H3.
What are the key properties of (1-chloro-6-methoxy-3,4-dihydronaphthalen-2-yl) formate?
(1-chloro-6-methoxy-3,4-dihydronaphthalen-2-yl) formate has a molecular weight of 238.67 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-6-methoxy-3,4-dihydronaphthalen-2-yl) formate is sourced from PubChem (CID 53308345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).