(4S)-7-chloro-8-(cyclopropylmethoxy)-4-ethyl-4-propan-2-yl-2,3-dihydrochromene

C18H25ClO2 — CID 146228241

IUPAC(4S)-7-chloro-8-(cyclopropylmethoxy)-4-ethyl-4-propan-2-yl-2,3-dihydrochromene
SMILESCC[C@@]1(C(C)C)CCOc2c1ccc(Cl)c2OCC1CC1
InChIInChI=1S/C18H25ClO2/c1-4-18(12(2)3)9-10-20-16-14(18)7-8-15(19)17(16)21-11-13-5-6-13/h7-8,12-13H,4-6,9-11H2,1-3H3/t18-/m0/s1
InChIKeyGYCTXOPIUAJUKX-SFHVURJKSA-N
MW308.85 g/mol
LogP5.22
Rot. Bonds5

About (4S)-7-chloro-8-(cyclopropylmethoxy)-4-ethyl-4-propan-2-yl-2,3-dihydrochromene

(4S)-7-chloro-8-(cyclopropylmethoxy)-4-ethyl-4-propan-2-yl-2,3-dihydrochromene (PubChem CID 146228241) has the molecular formula C18H25ClO2 and a molecular weight of 308.85 g/mol. Its IUPAC name is (4S)-7-chloro-8-(cyclopropylmethoxy)-4-ethyl-4-propan-2-yl-2,3-dihydrochromene.

Molecular Properties

Compound Name(4S)-7-chloro-8-(cyclopropylmethoxy)-4-ethyl-4-propan-2-yl-2,3-dihydrochromene
PubChem CID146228241
Molecular FormulaC18H25ClO2
Molecular Weight308.85 g/mol
Exact Mass308.15
IUPAC Name(4S)-7-chloro-8-(cyclopropylmethoxy)-4-ethyl-4-propan-2-yl-2,3-dihydrochromene
SMILESCC[C@@]1(C(C)C)CCOc2c1ccc(Cl)c2OCC1CC1
InChIInChI=1S/C18H25ClO2/c1-4-18(12(2)3)9-10-20-16-14(18)7-8-15(19)17(16)21-11-13-5-6-13/h7-8,12-13H,4-6,9-11H2,1-3H3/t18-/m0/s1
InChIKeyGYCTXOPIUAJUKX-SFHVURJKSA-N
XLogP5.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.85
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-7-chloro-8-(cyclopropylmethoxy)-4-ethyl-4-propan-2-yl-2,3-dihydrochromene?
The IUPAC name of (4S)-7-chloro-8-(cyclopropylmethoxy)-4-ethyl-4-propan-2-yl-2,3-dihydrochromene (CID 146228241) is (4S)-7-chloro-8-(cyclopropylmethoxy)-4-ethyl-4-propan-2-yl-2,3-dihydrochromene.
What is the SMILES notation for (4S)-7-chloro-8-(cyclopropylmethoxy)-4-ethyl-4-propan-2-yl-2,3-dihydrochromene?
The canonical SMILES for (4S)-7-chloro-8-(cyclopropylmethoxy)-4-ethyl-4-propan-2-yl-2,3-dihydrochromene is CC[C@@]1(C(C)C)CCOc2c1ccc(Cl)c2OCC1CC1.
What is the InChIKey of (4S)-7-chloro-8-(cyclopropylmethoxy)-4-ethyl-4-propan-2-yl-2,3-dihydrochromene?
The InChIKey is GYCTXOPIUAJUKX-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25ClO2/c1-4-18(12(2)3)9-10-20-16-14(18)7-8-15(19)17(16)21-11-13-5-6-13/h7-8,12-13H,4-6,9-11H2,1-3H3/t18-/m0/s1.
What are the key properties of (4S)-7-chloro-8-(cyclopropylmethoxy)-4-ethyl-4-propan-2-yl-2,3-dihydrochromene?
(4S)-7-chloro-8-(cyclopropylmethoxy)-4-ethyl-4-propan-2-yl-2,3-dihydrochromene has a molecular weight of 308.85 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-chloro-8-(cyclopropylmethoxy)-4-ethyl-4-propan-2-yl-2,3-dihydrochromene is sourced from PubChem (CID 146228241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).