9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate

C23H20O4 — CID 173166332

IUPAC9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate
SMILESCOc1ccc(COC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C23H20O4/c1-25-17-12-10-16(11-13-17)14-26-23(24)27-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22H,14-15H2,1H3
InChIKeyCDNUKKNYNDHRRF-UHFFFAOYSA-N
MW360.41 g/mol
LogP5.16
Rot. Bonds5

About 9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate

9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate (PubChem CID 173166332) has the molecular formula C23H20O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate
PubChem CID173166332
Molecular FormulaC23H20O4
Molecular Weight360.41 g/mol
Exact Mass360.14
IUPAC Name9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate
SMILESCOc1ccc(COC(=O)OCC2c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C23H20O4/c1-25-17-12-10-16(11-13-17)14-26-23(24)27-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22H,14-15H2,1H3
InChIKeyCDNUKKNYNDHRRF-UHFFFAOYSA-N
XLogP5.16
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.41
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)methyl 4-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxobutanoate
CID 23243405
methane;(4-methoxyphenyl)methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate
CID 51341624
methane;(4-methoxyphenyl)methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 51341620
butyl 9H-fluoren-9-ylmethyl carbonate
CID 114289496
(4,6-dimethoxy-1,3,5-triazin-2-yl) 9H-fluoren-9-ylmethyl carbonate
CID 11494624
(4-methoxyphenyl)methyl phenyl carbonate
CID 3084543
2-O-[(4-methoxyphenyl)methoxycarbonyloxymethyl] 1-O-(phenylmethoxycarbonyloxymethyl) oxalate
CID 123421696
[4-[[4-(9H-fluoren-9-ylmethoxycarbonyloxy)phenyl]methylsulfanylmethyl]phenyl] 9H-fluoren-9-ylmethyl carbonate
CID 139714070
(2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-(4-methoxyphenyl)propanoic acid
CID 7014947
1,1-diphenylethylbenzene;1-ethyl-4-methoxybenzene;9H-fluoren-9-ylmethyl acetate
CID 91382042
9H-fluoren-9-ylmethyl N-[(2S,3R)-1-hydroxy-3-[(4-methoxyphenyl)methoxy]pent-4-en-2-yl]carbamate
CID 11633968
4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate
CID 6612799

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate?
The IUPAC name of 9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate (CID 173166332) is 9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate?
The canonical SMILES for 9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate is COc1ccc(COC(=O)OCC2c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate?
The InChIKey is CDNUKKNYNDHRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O4/c1-25-17-12-10-16(11-13-17)14-26-23(24)27-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22H,14-15H2,1H3.
What are the key properties of 9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate?
9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate has a molecular weight of 360.41 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl (4-methoxyphenyl)methyl carbonate is sourced from PubChem (CID 173166332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).