(2-chlorophenyl) (4-propan-2-yloxyphenyl) carbonate

C16H15ClO4 — CID 21467853

IUPAC(2-chlorophenyl) (4-propan-2-yloxyphenyl) carbonate
SMILESCC(C)Oc1ccc(OC(=O)Oc2ccccc2Cl)cc1
InChIInChI=1S/C16H15ClO4/c1-11(2)19-12-7-9-13(10-8-12)20-16(18)21-15-6-4-3-5-14(15)17/h3-11H,1-2H3
InChIKeyBLNGFYBVVTVZLC-UHFFFAOYSA-N
MW306.75 g/mol
LogP4.70
Rot. Bonds4

About (2-chlorophenyl) (4-propan-2-yloxyphenyl) carbonate

(2-chlorophenyl) (4-propan-2-yloxyphenyl) carbonate (PubChem CID 21467853) has the molecular formula C16H15ClO4 and a molecular weight of 306.75 g/mol. Its IUPAC name is (2-chlorophenyl) (4-propan-2-yloxyphenyl) carbonate.

Molecular Properties

Compound Name(2-chlorophenyl) (4-propan-2-yloxyphenyl) carbonate
PubChem CID21467853
Molecular FormulaC16H15ClO4
Molecular Weight306.75 g/mol
Exact Mass306.07
IUPAC Name(2-chlorophenyl) (4-propan-2-yloxyphenyl) carbonate
SMILESCC(C)Oc1ccc(OC(=O)Oc2ccccc2Cl)cc1
InChIInChI=1S/C16H15ClO4/c1-11(2)19-12-7-9-13(10-8-12)20-16(18)21-15-6-4-3-5-14(15)17/h3-11H,1-2H3
InChIKeyBLNGFYBVVTVZLC-UHFFFAOYSA-N
XLogP4.70
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340245
[4-(2-chlorophenoxy)carbonyloxyphenyl]methylazanium
CID 140708042
(2S)-2-(2-chlorophenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 28635676
(2-chlorophenyl) (4-nonylphenyl) carbonate
CID 22994736
1-chloro-2-propan-2-yloxybenzene;ethane
CID 143368114
2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 17154741
(2-chlorophenyl) (2R)-2-bromopropanoate
CID 91194587
2-(2-chlorophenoxy)pentan-3-one
CID 64866523
(2-chlorophenyl) (2S)-2-(methylamino)propanoate
CID 175000753
2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42990289
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215445
(2-chlorophenyl) 2-methoxyacetate
CID 542147

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) (4-propan-2-yloxyphenyl) carbonate?
The IUPAC name of (2-chlorophenyl) (4-propan-2-yloxyphenyl) carbonate (CID 21467853) is (2-chlorophenyl) (4-propan-2-yloxyphenyl) carbonate.
What is the SMILES notation for (2-chlorophenyl) (4-propan-2-yloxyphenyl) carbonate?
The canonical SMILES for (2-chlorophenyl) (4-propan-2-yloxyphenyl) carbonate is CC(C)Oc1ccc(OC(=O)Oc2ccccc2Cl)cc1.
What is the InChIKey of (2-chlorophenyl) (4-propan-2-yloxyphenyl) carbonate?
The InChIKey is BLNGFYBVVTVZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO4/c1-11(2)19-12-7-9-13(10-8-12)20-16(18)21-15-6-4-3-5-14(15)17/h3-11H,1-2H3.
What are the key properties of (2-chlorophenyl) (4-propan-2-yloxyphenyl) carbonate?
(2-chlorophenyl) (4-propan-2-yloxyphenyl) carbonate has a molecular weight of 306.75 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) (4-propan-2-yloxyphenyl) carbonate is sourced from PubChem (CID 21467853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).