benzene;9H-fluoren-9-ylmethyl (2S)-2-phenylcyclobutane-1-carboxylate

C31H28O2 — CID 145368266

IUPACbenzene;9H-fluoren-9-ylmethyl (2S)-2-phenylcyclobutane-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)C1CC[C@@H]1c1ccccc1.c1ccccc1
InChIInChI=1S/C25H22O2.C6H6/c26-25(23-15-14-18(23)17-8-2-1-3-9-17)27-16-24-21-12-6-4-10-19(21)20-11-5-7-13-22(20)24;1-2-4-6-5-3-1/h1-13,18,23-24H,14-16H2;1-6H/t18-,23?;/m1./s1
InChIKeySAAWZGMMCDYUJT-OJTCHIDUSA-N
MW432.56 g/mol
LogP7.22
Rot. Bonds4

About benzene;9H-fluoren-9-ylmethyl (2S)-2-phenylcyclobutane-1-carboxylate

benzene;9H-fluoren-9-ylmethyl (2S)-2-phenylcyclobutane-1-carboxylate (PubChem CID 145368266) has the molecular formula C31H28O2 and a molecular weight of 432.56 g/mol. Its IUPAC name is benzene;9H-fluoren-9-ylmethyl (2S)-2-phenylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namebenzene;9H-fluoren-9-ylmethyl (2S)-2-phenylcyclobutane-1-carboxylate
PubChem CID145368266
Molecular FormulaC31H28O2
Molecular Weight432.56 g/mol
Exact Mass432.21
IUPAC Namebenzene;9H-fluoren-9-ylmethyl (2S)-2-phenylcyclobutane-1-carboxylate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)C1CC[C@@H]1c1ccccc1.c1ccccc1
InChIInChI=1S/C25H22O2.C6H6/c26-25(23-15-14-18(23)17-8-2-1-3-9-17)27-16-24-21-12-6-4-10-19(21)20-11-5-7-13-22(20)24;1-2-4-6-5-3-1/h1-13,18,23-24H,14-16H2;1-6H/t18-,23?;/m1./s1
InChIKeySAAWZGMMCDYUJT-OJTCHIDUSA-N
XLogP7.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-3-carboxylic acid
CID 53395529
trans-9H-fluoren-9-ylmethyl (1R,2R)-2-aminocyclohexane-1-carboxylate
CID 140639603
cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate
CID 99991979
9H-fluoren-9-ylmethyl cyclohexanecarboxylate
CID 22102217
9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
CID 87161132
2-phenylcyclobutane-1-carboxamide
CID 132565333
ethyl (2S)-2-phenylcyclohexane-1-carboxylate
CID 101094608
acetic acid;9H-fluoren-9-ylmethyl 4-aminocyclohexane-1-carboxylate
CID 53444085
cis-(1R,2S)-1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropane-1-carboxylic acid
CID 86307384
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014

Frequently Asked Questions

What is the IUPAC name of benzene;9H-fluoren-9-ylmethyl (2S)-2-phenylcyclobutane-1-carboxylate?
The IUPAC name of benzene;9H-fluoren-9-ylmethyl (2S)-2-phenylcyclobutane-1-carboxylate (CID 145368266) is benzene;9H-fluoren-9-ylmethyl (2S)-2-phenylcyclobutane-1-carboxylate.
What is the SMILES notation for benzene;9H-fluoren-9-ylmethyl (2S)-2-phenylcyclobutane-1-carboxylate?
The canonical SMILES for benzene;9H-fluoren-9-ylmethyl (2S)-2-phenylcyclobutane-1-carboxylate is O=C(OCC1c2ccccc2-c2ccccc21)C1CC[C@@H]1c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;9H-fluoren-9-ylmethyl (2S)-2-phenylcyclobutane-1-carboxylate?
The InChIKey is SAAWZGMMCDYUJT-OJTCHIDUSA-N. The full InChI is InChI=1S/C25H22O2.C6H6/c26-25(23-15-14-18(23)17-8-2-1-3-9-17)27-16-24-21-12-6-4-10-19(21)20-11-5-7-13-22(20)24;1-2-4-6-5-3-1/h1-13,18,23-24H,14-16H2;1-6H/t18-,23?;/m1./s1.
What are the key properties of benzene;9H-fluoren-9-ylmethyl (2S)-2-phenylcyclobutane-1-carboxylate?
benzene;9H-fluoren-9-ylmethyl (2S)-2-phenylcyclobutane-1-carboxylate has a molecular weight of 432.56 g/mol, XLogP of 7.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;9H-fluoren-9-ylmethyl (2S)-2-phenylcyclobutane-1-carboxylate is sourced from PubChem (CID 145368266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).