(4-amino-8-chloro-3,4-dihydro-2H-chromen-5-yl)methanol

C10H12ClNO2 — CID 130044464

IUPAC(4-amino-8-chloro-3,4-dihydro-2H-chromen-5-yl)methanol
SMILESNC1CCOc2c(Cl)ccc(CO)c21
InChIInChI=1S/C10H12ClNO2/c11-7-2-1-6(5-13)9-8(12)3-4-14-10(7)9/h1-2,8,13H,3-5,12H2
InChIKeyRLISDLVKTKJASE-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.61
Rot. Bonds1

About (4-amino-8-chloro-3,4-dihydro-2H-chromen-5-yl)methanol

(4-amino-8-chloro-3,4-dihydro-2H-chromen-5-yl)methanol (PubChem CID 130044464) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is (4-amino-8-chloro-3,4-dihydro-2H-chromen-5-yl)methanol.

Molecular Properties

Compound Name(4-amino-8-chloro-3,4-dihydro-2H-chromen-5-yl)methanol
PubChem CID130044464
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name(4-amino-8-chloro-3,4-dihydro-2H-chromen-5-yl)methanol
SMILESNC1CCOc2c(Cl)ccc(CO)c21
InChIInChI=1S/C10H12ClNO2/c11-7-2-1-6(5-13)9-8(12)3-4-14-10(7)9/h1-2,8,13H,3-5,12H2
InChIKeyRLISDLVKTKJASE-UHFFFAOYSA-N
XLogP1.61
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-chloro-5-methyl-3,4-dihydro-2H-chromen-4-amine
CID 43173859
(4S)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252255
(4S)-5-chloro-8-methyl-3,4-dihydro-2H-chromen-4-amine
CID 78961328
(4R)-8-chloro-5-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 130691735
(4R)-8-chloro-5,6-difluoro-3,4-dihydro-2H-chromen-4-amine
CID 131151157
(4R)-8-ethyl-3,4-dihydro-2H-chromene-4,5-diamine
CID 131081672
(4S)-5-bromo-8-ethyl-3,4-dihydro-2H-chromen-4-amine
CID 130673857
(4R)-8-chloro-5-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 130501634
5-chloro-8-methyl-3,4-dihydro-2H-chromene-4-thiol
CID 130774940
(4R)-6,8-dichloro-5-nitro-3,4-dihydro-2H-chromen-4-amine
CID 131393207
5,8-difluoro-3,4-dihydro-2H-chromen-4-amine
CID 59704967
(4R)-5,8-dibromo-3,4-dihydro-2H-chromen-4-amine
CID 130667179

Frequently Asked Questions

What is the IUPAC name of (4-amino-8-chloro-3,4-dihydro-2H-chromen-5-yl)methanol?
The IUPAC name of (4-amino-8-chloro-3,4-dihydro-2H-chromen-5-yl)methanol (CID 130044464) is (4-amino-8-chloro-3,4-dihydro-2H-chromen-5-yl)methanol.
What is the SMILES notation for (4-amino-8-chloro-3,4-dihydro-2H-chromen-5-yl)methanol?
The canonical SMILES for (4-amino-8-chloro-3,4-dihydro-2H-chromen-5-yl)methanol is NC1CCOc2c(Cl)ccc(CO)c21.
What is the InChIKey of (4-amino-8-chloro-3,4-dihydro-2H-chromen-5-yl)methanol?
The InChIKey is RLISDLVKTKJASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c11-7-2-1-6(5-13)9-8(12)3-4-14-10(7)9/h1-2,8,13H,3-5,12H2.
What are the key properties of (4-amino-8-chloro-3,4-dihydro-2H-chromen-5-yl)methanol?
(4-amino-8-chloro-3,4-dihydro-2H-chromen-5-yl)methanol has a molecular weight of 213.66 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-8-chloro-3,4-dihydro-2H-chromen-5-yl)methanol is sourced from PubChem (CID 130044464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).