(4R)-6-chloro-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol

C14H19ClO2 — CID 104949258

IUPAC(4R)-6-chloro-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol
SMILESCCCC(C)C1C[C@@H](O)c2cc(Cl)ccc2O1
InChIInChI=1S/C14H19ClO2/c1-3-4-9(2)14-8-12(16)11-7-10(15)5-6-13(11)17-14/h5-7,9,12,14,16H,3-4,8H2,1-2H3/t9?,12-,14?/m1/s1
InChIKeySEQBGIOJWJEDOS-VTGPFMDVSA-N
MW254.76 g/mol
LogP3.96
Rot. Bonds3

About (4R)-6-chloro-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol

(4R)-6-chloro-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104949258) has the molecular formula C14H19ClO2 and a molecular weight of 254.76 g/mol. Its IUPAC name is (4R)-6-chloro-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-6-chloro-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol
PubChem CID104949258
Molecular FormulaC14H19ClO2
Molecular Weight254.76 g/mol
Exact Mass254.11
IUPAC Name(4R)-6-chloro-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol
SMILESCCCC(C)C1C[C@@H](O)c2cc(Cl)ccc2O1
InChIInChI=1S/C14H19ClO2/c1-3-4-9(2)14-8-12(16)11-7-10(15)5-6-13(11)17-14/h5-7,9,12,14,16H,3-4,8H2,1-2H3/t9?,12-,14?/m1/s1
InChIKeySEQBGIOJWJEDOS-VTGPFMDVSA-N
XLogP3.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114715636
6-chloro-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114714596
7-bromo-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114714790
(4R)-6-chloro-2-(1-phenylethyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949200
(4R)-6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114201320
6-chloro-2-(4-methylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114201319
(2R,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 129381670
(2S,4S)-6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 129381669
2-butan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114714846
6-bromo-2-propan-2-yl-3,4-dihydro-2H-chromen-4-ol
CID 114715661
6-chloro-2-(1-methoxypropan-2-yl)-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114711441
(4R)-6-fluoro-2-(1-methoxypropan-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104948407

Frequently Asked Questions

What is the IUPAC name of (4R)-6-chloro-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-6-chloro-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol (CID 104949258) is (4R)-6-chloro-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-6-chloro-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-6-chloro-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol is CCCC(C)C1C[C@@H](O)c2cc(Cl)ccc2O1.
What is the InChIKey of (4R)-6-chloro-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is SEQBGIOJWJEDOS-VTGPFMDVSA-N. The full InChI is InChI=1S/C14H19ClO2/c1-3-4-9(2)14-8-12(16)11-7-10(15)5-6-13(11)17-14/h5-7,9,12,14,16H,3-4,8H2,1-2H3/t9?,12-,14?/m1/s1.
What are the key properties of (4R)-6-chloro-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol?
(4R)-6-chloro-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 254.76 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-chloro-2-pentan-2-yl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104949258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).